CAS RN: 186835-06-3
CAS Name: 3-(3,4-diphenylphenyl)-1-propanol
OPENEYE Name: 3-(3,4-diphenylphenyl)propan-1-ol
IUPAC Name: 3-(3,4-diphenylphenyl)propan-1-ol
SYSTEMATIC NAME: 3-(3,4-diphenylphenyl)propan-1-ol
MOLECULAR FORMULA: C21H20O
MOLECULAR WEIGHT: 288.3829
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)CCCO)C3=CC=CC=C3
Structure:
CAS RN: 182282-60-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N4O2
MOLECULAR WEIGHT: 300.3556
SMILES: CCCN1C2=C(N=C(C=C2)OC)N3C(=NC(=C3C1=O)C)CC
Structure:
CAS RN: 182134-00-5
CAS Name: (3R)-3-amino-3-[[(2S)-2-[[[(2S)-2-[[(3S)-3-cyclohexyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-[(2S,3R)-3-hydroxy-1-oxo-2-(propylamino)butyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-4-oxo-4-(1-piperidinyl)butanoic acid
OPENEYE Name: (3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methyl-butanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-(1-piperidyl)butanoic acid
IUPAC Name: (3R)-3-amino-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methylbutanoyl]-[(2S,3R)-3-hydroxy-2-(propylamino)butanoyl]carbamoyl]pyrrolidine-1-carbonyl]-4-oxo-4-piperidin-1-ylbutanoic acid
SYSTEMATIC NAME: (3R)-3-azanyl-3-[(2S)-2-[[(2S)-2-[[(3S)-3-cyclohexylbutanoyl]amino]-3-methyl-butanoyl]-[(2S,3R)-3-oxidanyl-2-(propylamino)butanoyl]carbamoyl]pyrrolidin-1-yl]carbonyl-4-oxidanylidene-4-piperidin-1-yl-butanoic acid
MOLECULAR FORMULA: C37H62N6O9
MOLECULAR WEIGHT: 734.92298
SMILES: CCCN[C@@H]([C@@H](C)O)C(=O)N(C(=O)[C@@H]1CCCN1C(=O)[C@@](CC(=O)O)(C(=O)N2CCCCC2)N)C(=O)[C@H](C(C)C)NC(=O)C[C@H](C)C3CCCCC3
Structure:
CAS RN: 177036-94-1
CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
OPENEYE Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid
IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
SYSTEMATIC NAME: 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid
MOLECULAR FORMULA: C22H22N2O4
MOLECULAR WEIGHT: 378.42108
SMILES: CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C
Structure:
CAS RN: 176182-01-7
CAS Name: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[[(2S,3R,4S,5R,6R)-3-[[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5-dihydroxy-6-methyl-2-oxanyl]oxy-oxomethyl]-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,
OPENEYE Name: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxycarbonyl-2-hydroxy-
IUPAC Name: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxycarbonyl-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-p
SYSTEMATIC NAME: (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-6b-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6a,11,11,14b-pentamethyl-8a-[(2S,3R,4S,5R,6R)-6-methyl-3-[(2S,3R,4S,5R,6S)-6-methyl-3,4-bis(oxidanyl)-5-[(2S,3R,4S,5R)-3
MOLECULAR FORMULA: C53H84O24
MOLECULAR WEIGHT: 1105.21966
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@@]23CC[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(C[C@@H]([C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)[C@@H]2CC(CC3)(C)C)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O[C@H]9[C@@H]([C@H]
Structure:
CAS RN: 175096-66-9
CAS Name: 2-[3-[3-(4-fluorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+)
OPENEYE Name: 2-[3-[3-(4-fluorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+)
IUPAC Name: 2-[3-[3-(4-fluorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxotechnetium-99(3+)
SYSTEMATIC NAME: 2-[3-[3-(4-fluorophenyl)-4-methoxycarbonyl-8-azabicyclo[3.2.1]octan-8-yl]propyl-(2-sulfanidylethyl)amino]-N-(2-sulfanidylethyl)ethanimidate; oxidanylidenetechnetium-99(3+)
MOLECULAR FORMULA: C24H33FN3O4S2Tc
MOLECULAR WEIGHT: 609.571178
SMILES: COC(=O)C1C2CCC(N2CCCN(CC[S-])CC(=NCC[S-])[O-])CC1C3=CC=C(C=C3)F.O=[99Tc+3]
Structure:
CAS RN: 174513-97-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17NO5
MOLECULAR WEIGHT: 303.30988
SMILES: CC(C)([C@H]1CC2=C(C3=C(C4=C(C=C3)OCO4)N=C2O1)OC)O
Structure:
CAS RN: 170912-52-4
CAS Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-oxoethyl]-1-piperazinyl]benzonitrile
OPENEYE Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
IUPAC Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
SYSTEMATIC NAME: 4-[4-[2-[[3-(2-azanylethyl)-1H-indol-5-yl]oxy]ethanoyl]piperazin-1-yl]benzenecarbonitrile
MOLECULAR FORMULA: C23H25N5O2
MOLECULAR WEIGHT: 403.4769
SMILES: C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN
Structure:
CAS RN: 170911-68-9
CAS Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-oxoethyl]-1-piperazinyl]benzonitrile hydrochloride
OPENEYE Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride
IUPAC Name: 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile hydrochloride
SYSTEMATIC NAME: 4-[4-[2-[[3-(2-azanylethyl)-1H-indol-5-yl]oxy]ethanoyl]piperazin-1-yl]benzenecarbonitrile hydrochloride
MOLECULAR FORMULA: C23H26ClN5O2
MOLECULAR WEIGHT: 439.93784
SMILES: C1CN(CCN1C2=CC=C(C=C2)C#N)C(=O)COC3=CC4=C(C=C3)NC=C4CCN.Cl
Structure:
CAS RN: 170516-41-3
CAS Name: pentapotassium 2-[2-(carboxylatomethoxy)-N-(carboxylatomethyl)-4-[[(2',7'-dichloro-3',6'-dioxido-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)-oxomethyl]amino]anilino]acetate
OPENEYE Name: pentapotassium 2-[2-(carboxylatomethoxy)-N-(carboxylatomethyl)-4-[(2',7'-dichloro-3',6'-dioxido-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carbonyl)amino]anilino]acetate
IUPAC Name: pentapotassium 2-[2-(carboxylatomethoxy)-N-(carboxylatomethyl)-4-[(2',7'-dichloro-3',6'-dioxido-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carbonyl)amino]anilino]acetate
SYSTEMATIC NAME: pentapotassium 2-[[4-[[2',7'-bis(chloranyl)-3',6'-bis(oxidanidyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]carbonylamino]-2-(2-oxidanidyl-2-oxidanylidene-ethoxy)phenyl]-(2-oxidanidyl-2-oxidanylidene-ethyl)amino]ethanoate
MOLECULAR FORMULA: C33H17Cl2K5N2O13
MOLECULAR WEIGHT: 915.89118
SMILES: C1=CC2=C(C=C1C(=O)NC3=CC(=C(C=C3)N(CC(=O)[O-])CC(=O)[O-])OCC(=O)[O-])C(=O)OC24C5=CC(=C(C=C5OC6=CC(=C(C=C46)Cl)[O-])[O-])Cl.[K+].[K+].[K+].[K+].[K+]
Structure:
CAS RN: 165252-70-0
CAS Name: 2-methyl-1-nitro-3-(3-oxolanylmethyl)guanidine
OPENEYE Name: 2-methyl-1-nitro-3-(tetrahydrofuran-3-ylmethyl)guanidine
IUPAC Name: 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine
SYSTEMATIC NAME: 2-methyl-1-nitro-3-(oxolan-3-ylmethyl)guanidine
MOLECULAR FORMULA: C7H14N4O3
MOLECULAR WEIGHT: 202.21106
SMILES: CN=C(NCC1CCOC1)N[N+](=O)[O-]
Structure:
CAS RN: 164991-65-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H39NO5
MOLECULAR WEIGHT: 481.62366
SMILES: CC1CC2CN3C(C1)(O2)CCC4(C35CC6(C7CC(=CC(=O)C7CC(=O)C6C4(C8(C5O8)O)C)C)C)C
Structure:
CAS RN: 164672-55-3
CAS Name: 4-[2-(6-hydroxy-2-methyl-1-benzopyran-2-yl)ethyl]-3,5,5-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 4-[2-(6-hydroxy-2-methyl-chromen-2-yl)ethyl]-3,5,5-trimethyl-cyclohex-2-en-1-one
IUPAC Name: 4-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-3,5,5-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3,5,5-trimethyl-4-[2-(2-methyl-6-oxidanyl-chromen-2-yl)ethyl]cyclohex-2-en-1-one
MOLECULAR FORMULA: C21H26O3
MOLECULAR WEIGHT: 326.42934
SMILES: CC1=CC(=O)CC(C1CCC2(C=CC3=C(O2)C=CC(=C3)O)C)(C)C
Structure:
CAS RN: 162661-31-6
CAS Name: (3R)-3-[1-[(4-bromophenyl)methyl]-4-piperidinyl]-3-phenylpiperidine-2,6-dione
OPENEYE Name: (3R)-3-[1-[(4-bromophenyl)methyl]-4-piperidyl]-3-phenyl-piperidine-2,6-dione
IUPAC Name: (3R)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
SYSTEMATIC NAME: (3R)-3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-3-phenyl-piperidine-2,6-dione
MOLECULAR FORMULA: C23H25BrN2O2
MOLECULAR WEIGHT: 441.3608
SMILES: C1CN(CCC1[C@]2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)Br
Structure:
CAS RN: 161229-62-5
CAS Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxido-2H-pyridin-6-yl)-3H-1,4-benzoxazine
OPENEYE Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxido-2H-pyridin-6-yl)-3H-1,4-benzoxazine
IUPAC Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxido-2H-pyridin-6-yl)-3H-1,4-benzoxazine
SYSTEMATIC NAME: 2,2-bis[bis(fluoranyl)methyl]-6-nitro-4-(1-oxidanidyl-2H-pyridin-6-yl)-3H-1,4-benzoxazine
MOLECULAR FORMULA: C15H12F4N3O4-
MOLECULAR WEIGHT: 374.267093
SMILES: C1C=CC=C(N1[O-])N2CC(OC3=C2C=C(C=C3)[N+](=O)[O-])(C(F)F)C(F)F
Structure:
CAS RN: 161161-67-7
CAS Name: (4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
OPENEYE Name: (4S)-1-[(4aS,5R,6S)-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
IUPAC Name: (4S)-1-[(4aS,5R,6S)-5-ethenyl-1-oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-4-hydroxy-8-(4-hydroxyphenyl)octane-2,6-dione
SYSTEMATIC NAME: (4S)-1-[(4aS,5R,6S)-5-ethenyl-6-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]-8-(4-hydroxyphenyl)-4-oxidanyl-octane-2,6-dione
MOLECULAR FORMULA: C30H38O13
MOLECULAR WEIGHT: 606.61492
SMILES: C=C[C@@H]1[C@@H]2CC(OC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)C[C@H](CC(=O)CCC4=CC=C(C=C4)O)O
Structure:
CAS RN: 161161-66-6
CAS Name: (3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
OPENEYE Name: (3R,4aS)-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxo-hexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-5-vinyl-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
IUPAC Name: (3R,4aS)-5-ethenyl-3-[(4S)-4-hydroxy-6-(4-hydroxyphenyl)-2-oxohexyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
SYSTEMATIC NAME: (3R,4aS)-5-ethenyl-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[(4S)-6-(4-hydroxyphenyl)-4-oxidanyl-2-oxidanylidene-hexyl]-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
MOLECULAR FORMULA: C28H36O12
MOLECULAR WEIGHT: 564.57824
SMILES: C=CC1[C@@H]2C[C@@H](OC(=O)C2=COC1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)CC(=O)C[C@H](CCC4=CC=C(C=C4)O)O
Structure:
CAS RN: 160471-36-3
CAS Name: 2-[(17S,18S,19S,20R)-17-acetyloxy-20-[[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-17-carboxy-18,19,21-trihydroxy-16-methylheneicosyl]-6-hydroxybenzoic acid
OPENEYE Name: 2-[(17S,18S,19S,20R)-17-acetoxy-20-[(2S,3S,4S,5S,6R)-3-acetoxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-17-carboxy-18,19,21-trihydroxy-16-methyl-henicosyl]-6-hydroxy-benzoic acid
IUPAC Name: 2-[(17S,18S,19S,20R)-17-acetyloxy-20-[(2S,3S,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-carboxy-18,19,21-trihydroxy-16-methylhenicosyl]-6-hydroxybenzoic acid
SYSTEMATIC NAME: 2-[(17S,18S,19S,20R)-17-acetyloxy-20-[(2S,3S,4S,5S,6R)-3-acetyloxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-17-carboxy-16-methyl-18,19,21-tris(oxidanyl)henicosyl]-6-oxidanyl-benzoic acid
MOLECULAR FORMULA: C40H64O17
MOLECULAR WEIGHT: 816.92596
SMILES: CC(CCCCCCCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O)[C@]([C@H]([C@@H]([C@@H](CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)C)O)O)(C(=O)O)OC(=O)C
Structure:
CAS RN: 160296-13-9
CAS Name: 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid but-2-ynyl ester
OPENEYE Name: but-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-3-carboxylate
IUPAC Name: but-2-ynyl 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
SYSTEMATIC NAME: but-2-ynyl 4-azanyl-2-methyl-7-oxidanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate
MOLECULAR FORMULA: C17H18N2O3S
MOLECULAR WEIGHT: 330.40142
SMILES: CC#CCOC(=O)C1=C(N=C2C(=C1N)C3=C(S2)CC(CC3)O)C
Structure:
CAS RN: 159860-31-8
CAS Name: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-propyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
OPENEYE Name: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide
IUPAC Name: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-propylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-propyl-piperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethyl-benzamide
MOLECULAR FORMULA: C28H41N3O2
MOLECULAR WEIGHT: 451.64404
SMILES: CCCN1C[C@@H](N(C[C@H]1C)[C@H](C2=CC=C(C=C2)C(=O)N(CC)CC)C3=CC(=CC=C3)OC)C
Structure:
CAS RN: 158991-19-6
CAS Name: 6-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[2,3-b]pyran-4-one
OPENEYE Name: 6-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[2,3-b]pyran-4-one
IUPAC Name: 6-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[2,3-b]pyran-4-one
SYSTEMATIC NAME: 6-(4-hydroxyphenyl)-2,3,3-trimethyl-2H-furo[2,3-b]pyran-4-one
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: CC1C(C2=C(O1)OC(=CC2=O)C3=CC=C(C=C3)O)(C)C
Structure:
CAS RN: 158268-42-9
CAS Name: 2,2-difluoro-3-oxo-3-[(3S,6S)-5,8,11-trioxo-10-(phenylmethyl)-6-propan-2-yl-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-trien-3-yl]propanamide
OPENEYE Name: 3-[(3S,6S)-10-benzyl-6-isopropyl-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-trien-3-yl]-2,2-difluoro-3-oxo-propanamide
IUPAC Name: 3-[(3S,6S)-10-benzyl-5,8,11-trioxo-6-propan-2-yl-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-trien-3-yl]-2,2-difluoro-3-oxopropanamide
SYSTEMATIC NAME: 2,2-bis(fluoranyl)-3-oxidanylidene-3-[(3S,6S)-5,8,11-tris(oxidanylidene)-10-(phenylmethyl)-6-propan-2-yl-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-trien-3-yl]propanamide
MOLECULAR FORMULA: C27H30F2N4O6
MOLECULAR WEIGHT: 544.547106
SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)OCC(=O)N(CC(=O)N1)CC3=CC=CC=C3)C(=O)C(C(=O)N)(F)F
Structure:
CAS RN: 158039-67-9
CAS Name: 2-[[[4-[(2-bromo-1-oxoethyl)amino]phenyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acid
IUPAC Name: 2-[[4-[(2-bromoacetyl)amino]benzoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4-(2-bromanylethanoylamino)phenyl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C11H11BrN2O4
MOLECULAR WEIGHT: 315.12004
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)NC(=O)CBr
Structure:
CAS RN: 157807-83-5
CAS Name: (2R)-2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxy-phenyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C9H7F4NO3
MOLECULAR WEIGHT: 253.150393
SMILES: C(C1=C(C(=C(C(=C1F)F)O)F)F)[C@H](C(=O)O)N
Structure:
CAS RN: 157568-17-7
CAS Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxo-1-pyrrolidinyl]-1-oxopropyl]amino]-2-hydroxypentane-1,2,3-tricarboxylic acid
OPENEYE Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxo-pyrrolidin-1-yl]propanoyl]amino]-2-hydroxy-pentane-1,2,3-tricarboxylic acid
IUPAC Name: 5-[[(2S)-2-[(2R)-2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl]propanoyl]amino]-2-hydroxypentane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 5-[[(2S)-2-[(2R)-2-carboxy-2-oxidanyl-5-oxidanylidene-pyrrolidin-1-yl]propanoyl]amino]-2-oxidanyl-pentane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C16H22N2O12
MOLECULAR WEIGHT: 434.35208
SMILES: C[C@@H](C(=O)NCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O)N1C(=O)CC[C@]1(C(=O)O)O
Structure:
CAS RN: 157566-63-7
CAS Name: 4-ethenyl-4-hydroxy-3-oxo-1-cyclopentenecarbonitrile
OPENEYE Name: 4-hydroxy-3-oxo-4-vinyl-cyclopentene-1-carbonitrile
IUPAC Name: 4-ethenyl-4-hydroxy-3-oxocyclopentene-1-carbonitrile
SYSTEMATIC NAME: 4-ethenyl-4-oxidanyl-3-oxidanylidene-cyclopentene-1-carbonitrile
MOLECULAR FORMULA: C8H7NO2
MOLECULAR WEIGHT: 149.14668
SMILES: C=CC1(CC(=CC1=O)C#N)O
Structure:
CAS RN: 157414-03-4
CAS Name: (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f][1]benzopyran-4-one
OPENEYE Name: (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
IUPAC Name: (2S)-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
SYSTEMATIC NAME: (2S)-8,8-dimethyl-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-2,3-dihydropyrano[2,3-f]chromen-4-one
MOLECULAR FORMULA: C25H26O4
MOLECULAR WEIGHT: 390.47154
SMILES: CC(=CCC1=C(C=CC(=C1)[C@@H]2CC(=O)C3=C(O2)C4=C(C=C3)OC(C=C4)(C)C)O)C
Structure:
CAS RN: 157239-64-0
CAS Name: 2-acetamido-N-(4-chloro-3-oxo-1-phenylpentan-2-yl)propanamide
OPENEYE Name: 2-acetamido-N-(1-benzyl-3-chloro-2-oxo-butyl)propanamide
IUPAC Name: 2-acetamido-N-(4-chloro-3-oxo-1-phenylpentan-2-yl)propanamide
SYSTEMATIC NAME: 2-acetamido-N-(4-chloranyl-3-oxidanylidene-1-phenyl-pentan-2-yl)propanamide
MOLECULAR FORMULA: C16H21ClN2O3
MOLECULAR WEIGHT: 324.80254
SMILES: CC(C(=O)NC(CC1=CC=CC=C1)C(=O)C(C)Cl)NC(=O)C
Structure:
CAS RN: 156996-76-8
CAS Name: [(2R)-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)-3-diazirinyl]phenyl]methoxy]-1,10-dioxodecoxy]-3-(1-oxohexadecoxy)propyl] 2-(trimethylammonio)ethyl phosphate
OPENEYE Name: [(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxo-decanoyl]oxy-propyl] 2-(trimethylammonio)ethyl phosphate
IUPAC Name: [(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methoxy]-10-oxodecanoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
SYSTEMATIC NAME: [(2R)-3-hexadecanoyloxy-2-[10-[[2-iodanyl-4-[3-(trifluoromethyl)-1,2-diazirin-3-yl]phenyl]methoxy]-10-oxidanylidene-decanoyl]oxy-propyl] 2-(trimethylazaniumyl)ethyl phosphate
MOLECULAR FORMULA: C43H70F3IN3O10P
MOLECULAR WEIGHT: 1001.903595
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(=O)OCC1=C(C=C(C=C1)C2(N=N2)C(F)(F)F)[125I]
Structure:
CAS RN: 156891-23-5
CAS Name: 3-pyridinecarboxylic acid [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[[5-[[5-[[5-[[3-hydroxy-4-methoxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6
OPENEYE Name: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy
IUPAC Name: [8,14,17-trihydroxy-17-(1-hydroxyethyl)-3-[5-[5-[5-[3-hydroxy-4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl
SYSTEMATIC NAME: [17-(1-hydroxyethyl)-3-[5-[5-[5-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-methoxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-8,14,17-t
MOLECULAR FORMULA: C61H95NO25
MOLECULAR WEIGHT: 1242.3987
SMILES: CC1C(C(CC(O1)OC2CCC3(C4CC(C5(C(CCC5(C4(CC=C3C2)O)O)(C(C)O)O)C)OC(=O)C6=CN=CC=C6)C)OC)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)C)OC1C(C(C(C(O1)CO)O)O)O)OC)O)OC)OC
Structure:
CAS RN: 156680-39-6
CAS Name: (2R)-N'-hydroxy-2-(2-methylpropyl)-N-[(2S)-1-oxo-3-phenyl-1-(3-pyridinylmethylamino)propan-2-yl]butanediamide
OPENEYE Name: (2R)-N-[(1S)-1-benzyl-2-oxo-2-(3-pyridylmethylamino)ethyl]-2-[2-(hydroxyamino)-2-oxo-ethyl]-4-methyl-pentanamide
IUPAC Name: (2R)-N'-hydroxy-2-(2-methylpropyl)-N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]butanediamide
SYSTEMATIC NAME: (2R)-2-(2-methylpropyl)-N'-oxidanyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]butanediamide
MOLECULAR FORMULA: C23H30N4O4
MOLECULAR WEIGHT: 426.5087
SMILES: CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2=CN=CC=C2
Structure:
CAS RN: 156271-23-7
CAS Name: (2S,3R,4S,5R)-2-[[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-3-oxanyl]oxy]oxane-3,4,5-triol
OPENEYE Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxy-tetrahydropyran-3-yl]oxytetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoro-4-hydroxyoxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[(3R,4S,5R,6S)-6-(2,4-dinitrophenoxy)-5-fluoranyl-4-oxidanyl-oxan-3-yl]oxyoxane-3,4,5-triol
MOLECULAR FORMULA: C16H19FN2O12
MOLECULAR WEIGHT: 450.326663
SMILES: C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)F)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)O
Structure:
CAS RN: 155944-12-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H50N2O18
MOLECULAR WEIGHT: 918.8918
SMILES: CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)O)OC(=O)C)COC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CN(C(=O)C=C7)C)C
Structure:
CAS RN: 155892-41-4
CAS Name: (5R,6R)-5-chloro-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methoxy-1,3-diazinane-2,4-dione
OPENEYE Name: (5R,6R)-5-chloro-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
IUPAC Name: (5R,6R)-5-chloro-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: (5R,6R)-5-chloranyl-5-ethyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C12H19ClN2O6
MOLECULAR WEIGHT: 322.74206
SMILES: CC[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OC)Cl
Structure:
CAS RN: 155892-40-3
CAS Name: (5R,6R)-5-bromo-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methoxy-1,3-diazinane-2,4-dione
OPENEYE Name: (5R,6R)-5-bromo-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methoxy-hexahydropyrimidine-2,4-dione
IUPAC Name: (5R,6R)-5-bromo-5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: (5R,6R)-5-bromanyl-5-ethyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-methoxy-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C12H19BrN2O6
MOLECULAR WEIGHT: 367.19306
SMILES: CC[C@]1([C@H](N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)OC)Br
Structure:
CAS RN: 155740-16-2
CAS Name: 7-[[6-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-6-(2,3-dihydroxy-3-methylbutyl)-1-benzopyran-2-one
OPENEYE Name: 7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-6-(2,3-dihydroxy-3-methyl-butyl)chromen-2-one
IUPAC Name: 7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-(2,3-dihydroxy-3-methylbutyl)chromen-2-one
SYSTEMATIC NAME: 7-[6-[[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[3-methyl-2,3-bis(oxidanyl)butyl]chromen-2-one
MOLECULAR FORMULA: C25H34O14
MOLECULAR WEIGHT: 558.52906
SMILES: CC(C)(C(CC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)COC4C(C(CO4)(CO)O)O)O)O)O)O)O
Structure:
CAS RN: 155539-11-0
CAS Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyl-2-oxanyl)-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
OPENEYE Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl)-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
IUPAC Name: 4-[7-hydroxy-3-[5-[5-(6-hydroxy-3,5,6-trimethyloxan-2-yl)-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
SYSTEMATIC NAME: 4-[3,8-dimethyl-3-[5-methyl-5-[3-methyl-5-(3,5,6-trimethyl-6-oxidanyl-oxan-2-yl)oxolan-2-yl]oxolan-2-yl]-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methyl-pentanoic acid
MOLECULAR FORMULA: C35H60O10
MOLECULAR WEIGHT: 640.8449
SMILES: CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)O)C)C)C)(C)O)C
Structure:
CAS RN: 155270-53-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H50N4O8S2
MOLECULAR WEIGHT: 827.0198
SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)NC(=O)CSSCC(=O)NC78CCC(=O)C9C71CCN(C8CC2=C1C(=C(C=C2)O)O9)CC1CC1
Structure:
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