CAS RN: 3836-19-9
CAS Name: (2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxy-1-oxoethyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
OPENEYE Name: (2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
IUPAC Name: (2R,8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
SYSTEMATIC NAME: (2R,8S,9S,10R,13S,14S,17R)-2,10,13-trimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
MOLECULAR FORMULA: C22H30O5
MOLECULAR WEIGHT: 374.4706
SMILES: C[C@@H]1C[C@@]2([C@@H]3[C@@H](CCC2=CC1=O)[C@@H]4CC[C@@]([C@]4(CC3=O)C)(C(=O)CO)O)C
Structure:
CAS RN: 1673-08-1
CAS Name: (8R,9S,13S,14S,17S)-13-methyl-3-spiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]ol
OPENEYE Name: (8R,9S,13S,14S,17S)-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
IUPAC Name: (8R,9S,13S,14S,17S)-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,2'-oxirane]-3-ol
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CO4)CCC5=C3C=CC(=C5)O
Structure:
CAS RN: 2066-43-5
CAS Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]ol
OPENEYE Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-ol
IUPAC Name: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-ol
SYSTEMATIC NAME: (3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxirane]-17-ol
MOLECULAR FORMULA: C20H32O2
MOLECULAR WEIGHT: 304.46688
SMILES: C[C@]12CC[C@]3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@H]5O)C)CO3
Structure:
CAS RN: 13425-06-4
CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
OPENEYE Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
IUPAC Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
SYSTEMATIC NAME: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC)OC
Structure:
CAS RN: 1597-00-8
CAS Name: 5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
OPENEYE Name: 5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
IUPAC Name: 5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: 5-(4-phenylbutyl)pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C14H19N5
MOLECULAR WEIGHT: 257.33416
SMILES: C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)N
Structure:
CAS RN: 13633-25-5
CAS Name: 4-bromobutylbenzene
OPENEYE Name: 4-bromobutylbenzene
IUPAC Name: 4-bromobutylbenzene
SYSTEMATIC NAME: 4-bromanylbutylbenzene
MOLECULAR FORMULA: C10H13Br
MOLECULAR WEIGHT: 213.11422
SMILES: C1=CC=C(C=C1)CCCCBr
Structure:
CAS RN: 41563-69-3
CAS Name: 1-fluoro-2-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-2-fluoro-benzene
IUPAC Name: 1-fluoro-2-phenylmethoxybenzene
SYSTEMATIC NAME: 1-fluoranyl-2-phenylmethoxy-benzene
MOLECULAR FORMULA: C13H11FO
MOLECULAR WEIGHT: 202.224243
SMILES: C1=CC=C(C=C1)COC2=CC=CC=C2F
Structure:
CAS RN: 10403-79-9
CAS Name: 1,4-bis(phenoxymethyl)benzene
OPENEYE Name: 1,4-bis(phenoxymethyl)benzene
IUPAC Name: 1,4-bis(phenoxymethyl)benzene
SYSTEMATIC NAME: 1,4-bis(phenoxymethyl)benzene
MOLECULAR FORMULA: C20H18O2
MOLECULAR WEIGHT: 290.35572
SMILES: C1=CC=C(C=C1)OCC2=CC=C(C=C2)COC3=CC=CC=C3
Structure:
CAS RN: 47157-01-7
CAS Name: 2,6-bis(phenylmethyl)phenol
OPENEYE Name: 2,6-dibenzylphenol
IUPAC Name: 2,6-dibenzylphenol
SYSTEMATIC NAME: 2,6-bis(phenylmethyl)phenol
MOLECULAR FORMULA: C20H18O
MOLECULAR WEIGHT: 274.35632
SMILES: C1=CC=C(C=C1)CC2=C(C(=CC=C2)CC3=CC=CC=C3)O
Structure:
CAS RN: 15872-48-7
CAS Name: 4-hexadecoxybenzoic acid
OPENEYE Name: 4-hexadecoxybenzoic acid
IUPAC Name: 4-hexadecoxybenzoic acid
SYSTEMATIC NAME: 4-hexadecoxybenzoic acid
MOLECULAR FORMULA: C23H38O3
MOLECULAR WEIGHT: 362.54602
SMILES: CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)O
Structure:
CAS RN: 487-49-0
CAS Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
OPENEYE Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
IUPAC Name: 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
SYSTEMATIC NAME: 1-[2,4-bis(oxidanyl)phenyl]-2-(4-methoxyphenyl)ethanone
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 4190-14-1
CAS Name: N-phenacylbenzamide
OPENEYE Name: N-phenacylbenzamide
IUPAC Name: N-phenacylbenzamide
SYSTEMATIC NAME: N-phenacylbenzamide
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1=CC=C(C=C1)C(=O)CNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 13224-99-2
CAS Name: 2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6,7,8-triol
OPENEYE Name: 2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
IUPAC Name: 2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
SYSTEMATIC NAME: 2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6,7,8-triol
MOLECULAR FORMULA: C8H14O6
MOLECULAR WEIGHT: 206.19316
SMILES: CC1OCC2C(O1)C(C(C(O2)O)O)O
Structure:
CAS RN: 3724-19-4
CAS Name: 3-(3-pyridinyl)propanoic acid
OPENEYE Name: 3-(3-pyridyl)propanoic acid
IUPAC Name: 3-pyridin-3-ylpropanoic acid
SYSTEMATIC NAME: 3-pyridin-3-ylpropanoic acid
MOLECULAR FORMULA: C8H9NO2
MOLECULAR WEIGHT: 151.16256
SMILES: C1=CC(=CN=C1)CCC(=O)O
Structure:
CAS RN: 1096-49-7
CAS Name: [3-chloro-2-[(dimethylamino)methyl]phenyl]-diphenylmethanol
OPENEYE Name: [3-chloro-2-[(dimethylamino)methyl]phenyl]-diphenyl-methanol
IUPAC Name: [3-chloro-2-[(dimethylamino)methyl]phenyl]-diphenylmethanol
SYSTEMATIC NAME: [3-chloranyl-2-[(dimethylamino)methyl]phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C22H22ClNO
MOLECULAR WEIGHT: 351.86918
SMILES: CN(C)CC1=C(C=CC=C1Cl)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 10136-17-1
CAS Name: [2-[(dimethylamino)methyl]-3-(2,2-diphenylethenyl)phenyl]-diphenylmethanol
OPENEYE Name: [2-[(dimethylamino)methyl]-3-(2,2-diphenylvinyl)phenyl]-diphenyl-methanol
IUPAC Name: [2-[(dimethylamino)methyl]-3-(2,2-diphenylethenyl)phenyl]-diphenylmethanol
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-3-(2,2-diphenylethenyl)phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C36H33NO
MOLECULAR WEIGHT: 495.65332
SMILES: CN(C)CC1=C(C=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C=C(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 22775-40-2
CAS Name: 1,16-diphenylhexadecane-3,5,12,14-tetrone
OPENEYE Name: 1,16-diphenylhexadecane-3,5,12,14-tetrone
IUPAC Name: 1,16-diphenylhexadecane-3,5,12,14-tetrone
SYSTEMATIC NAME: 1,16-diphenylhexadecane-3,5,12,14-tetrone
MOLECULAR FORMULA: C28H34O4
MOLECULAR WEIGHT: 434.56716
SMILES: C1=CC=C(C=C1)CCC(=O)CC(=O)CCCCCCC(=O)CC(=O)CCC2=CC=CC=C2
Structure:
CAS RN: 109350-29-0
CAS Name: [2-[(dimethylamino)methyl]-3-fluorophenyl]-diphenylmethanol
OPENEYE Name: [2-[(dimethylamino)methyl]-3-fluoro-phenyl]-diphenyl-methanol
IUPAC Name: [2-[(dimethylamino)methyl]-3-fluorophenyl]-diphenylmethanol
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]-3-fluoranyl-phenyl]-diphenyl-methanol
MOLECULAR FORMULA: C22H22FNO
MOLECULAR WEIGHT: 335.414583
SMILES: CN(C)CC1=C(C=CC=C1F)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 19461-38-2
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-methylpentanoic acid
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-methyl-pentanoic acid
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-methylpentanoic acid
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-methyl-pentanoic acid
MOLECULAR FORMULA: C8H16N2O3
MOLECULAR WEIGHT: 188.22424
SMILES: CCC(C)C(C(=O)O)NC(=O)CN
Structure:
CAS RN: 1999-41-3
CAS Name: 4-amino-2-[(2-amino-1-oxopropyl)amino]-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(2-aminopropanoylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-(2-aminopropanoylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)NC(CC(=O)N)C(=O)O)N
Structure:
CAS RN: 20051-99-4
CAS Name: 4-amino-2-[(2-amino-1-oxopropyl)amino]-4-oxobutanoic acid
OPENEYE Name: 4-amino-2-(2-aminopropanoylamino)-4-oxo-butanoic acid
IUPAC Name: 4-amino-2-(2-aminopropanoylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-azanyl-2-(2-azanylpropanoylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: CC(C(=O)NC(CC(=O)N)C(=O)O)N
Structure:
CAS RN: 13116-21-7
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)CN
Structure:
CAS RN: 5513-69-9
CAS Name: N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethyl]carbamate
MOLECULAR FORMULA: C19H21N3O4
MOLECULAR WEIGHT: 355.38774
SMILES: C1=CC=C(C=C1)CC(C(=O)N)NC(=O)CNC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 1655-49-8
CAS Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid
OPENEYE Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid
IUPAC Name: 2,6-bis(2,4-dinitroanilino)hexanoic acid
SYSTEMATIC NAME: 2,6-bis[(2,4-dinitrophenyl)amino]hexanoic acid
MOLECULAR FORMULA: C18H18N6O10
MOLECULAR WEIGHT: 478.36972
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4306-24-5
CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-[[2-[(2-aminoacetyl)amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name: 2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[[2-(2-azanylethanoylamino)-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
MOLECULAR FORMULA: C17H25N3O5
MOLECULAR WEIGHT: 351.3975
SMILES: CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)CN
Structure:
CAS RN: 1421-69-8
CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]pentanoic acid
OPENEYE Name: 2-[[2-(benzyloxycarbonylamino)acetyl]amino]-4-methyl-pentanoic acid
IUPAC Name: 4-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid
SYSTEMATIC NAME: 4-methyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]pentanoic acid
MOLECULAR FORMULA: C16H22N2O5
MOLECULAR WEIGHT: 322.35628
SMILES: CC(C)CC(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1
Structure:
CAS RN: 744-46-7
CAS Name: 2-[(2-benzamido-1-oxoethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: 2-[(2-benzamidoacetyl)amino]-5-guanidino-pentanoic acid
IUPAC Name: 2-[(2-benzamidoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: 2-(2-benzamidoethanoylamino)-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C15H21N5O4
MOLECULAR WEIGHT: 335.35834
SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O
Structure:
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