CAS RN: 114020-41-6
CAS Name: 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
OPENEYE Name: 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
IUPAC Name: 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
SYSTEMATIC NAME: 5-[3-[2,4-bis(oxidanyl)phenyl]propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
MOLECULAR FORMULA: C25H32O4
MOLECULAR WEIGHT: 396.51918
SMILES: CC(=CCC1=C(C(=C(C=C1CCCC2=C(C=C(C=C2)O)O)O)O)CC=C(C)C)C
Structure:
CAS RN: 23804-94-6
CAS Name: 1,2,3,4-tetrahydrochrysene
OPENEYE Name: 1,2,3,4-tetrahydrochrysene
IUPAC Name: 1,2,3,4-tetrahydrochrysene
SYSTEMATIC NAME: 1,2,3,4-tetrahydrochrysene
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: C1CCC2=C(C1)C=CC3=C2C=CC4=CC=CC=C43
Structure:
CAS RN: 104460-72-2
CAS Name: 1,2,3,4-tetrahydrochrysene
OPENEYE Name: 1,2,3,4-tetrahydrochrysene
IUPAC Name: 1,2,3,4-tetrahydrochrysene
SYSTEMATIC NAME: 1,2,3,4-tetrahydrochrysene
MOLECULAR FORMULA: C18H16
MOLECULAR WEIGHT: 232.31964
SMILES: C1CCC2=C(C1)C=CC3=C2C=CC4=CC=CC=C43
Structure:
CAS RN: 113903-96-1
CAS Name: 4-(aminomethyl)-1-cyclohexanecarboxylic acid 1-ethoxycarbonyloxyethyl ester
OPENEYE Name: 1-ethoxycarbonyloxyethyl 4-(aminomethyl)cyclohexanecarboxylate
IUPAC Name: 1-ethoxycarbonyloxyethyl 4-(aminomethyl)cyclohexane-1-carboxylate
SYSTEMATIC NAME: 1-ethoxycarbonyloxyethyl 4-(aminomethyl)cyclohexane-1-carboxylate
MOLECULAR FORMULA: C13H23NO5
MOLECULAR WEIGHT: 273.32542
SMILES: CCOC(=O)OC(C)OC(=O)C1CCC(CC1)CN
Structure:
CAS RN: 113849-03-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H38N2O7
MOLECULAR WEIGHT: 622.70682
SMILES: CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@H]6C7=C(O3)C8=C(C=C7CC[N@@+]6(C)[O-])OCO8)C=C5)OC
Structure:
CAS RN: 123354-96-1
CAS Name: (3R,4S)-3-(4-aminophenyl)-3,4-diethylpiperidine-2,6-dione
OPENEYE Name: (3R,4S)-3-(4-aminophenyl)-3,4-diethyl-piperidine-2,6-dione
IUPAC Name: (3R,4S)-3-(4-aminophenyl)-3,4-diethylpiperidine-2,6-dione
SYSTEMATIC NAME: (3R,4S)-3-(4-aminophenyl)-3,4-diethyl-piperidine-2,6-dione
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: CC[C@H]1CC(=O)NC(=O)[C@@]1(CC)C2=CC=C(C=C2)N
Structure:
CAS RN: 110964-79-9
CAS Name: 4-methylsulfonyl-2-nitrobenzoic acid
OPENEYE Name: 4-methylsulfonyl-2-nitro-benzoic acid
IUPAC Name: 4-methylsulfonyl-2-nitrobenzoic acid
SYSTEMATIC NAME: 4-methylsulfonyl-2-nitro-benzoic acid
MOLECULAR FORMULA: C8H7NO6S
MOLECULAR WEIGHT: 245.20928
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 122952-20-9
CAS Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[(1R)-2-hydroxy-1,2-dihydronaphthalen-1-yl]thio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid
OPENEYE Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[(1R)-2-hydroxy-1,2-dihydronaphthalen-1-yl]sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[[(2R)-2-amino-3-[[(1R)-2-hydroxy-1,2-dihydronaphthalen-1-yl]sulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[[(2R)-2-azanyl-3-[[(1R)-2-oxidanyl-1,2-dihydronaphthalen-1-yl]sulfanyl]propanoyl]-(2-hydroxy-2-oxoethyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H25N3O7S
MOLECULAR WEIGHT: 451.4934
SMILES: C1=CC=C2[C@H](C(C=CC2=C1)O)SC[C@@H](C(=O)N(CC(=O)O)C(=O)CC[C@@H](C(=O)O)N)N
Structure:
CAS RN: 110826-67-0
CAS Name: 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
OPENEYE Name: 2-[[4-(1-hydroxy-1-methyl-ethyl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
IUPAC Name: 2-[[4-(2-hydroxypropan-2-yl)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
SYSTEMATIC NAME: 2-[[1-methyl-4-(2-oxidanylpropan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-yl]oxymethyl]benzoic acid
MOLECULAR FORMULA: C18H24O5
MOLECULAR WEIGHT: 320.38016
SMILES: CC12CCC(O1)(CC2OCC3=CC=CC=C3C(=O)O)C(C)(C)O
Structure:
CAS RN: 32644-30-7
CAS Name: 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[[(2S)-1-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-hy
OPENEYE Name: 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy-butanoyl]pyrrolidine-2-carbony
IUPAC Name: 2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]pyrrolid
SYSTEMATIC NAME: 2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[2-[[(2S)-1-[(2S)-1-[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoylamino]-3-phenyl-propanoyl]amino]-3-oxidanyl-butano
MOLECULAR FORMULA: C60H92N18O13
MOLECULAR WEIGHT: 1273.48528
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)N)O
Structure:
CAS RN: 12236-25-8
CAS Name: 2-(4-fluorophenyl)-5-(3-pyridinyl)-1,3,4-thiadiazole
OPENEYE Name: 2-(4-fluorophenyl)-5-(3-pyridyl)-1,3,4-thiadiazole
IUPAC Name: 2-(4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazole
SYSTEMATIC NAME: 2-(4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazole
MOLECULAR FORMULA: C13H8FN3S
MOLECULAR WEIGHT: 257.286123
SMILES: C1=CC(=CN=C1)C2=NN=C(S2)C3=CC=C(C=C3)F
Structure:
CAS RN: 110658-96-3
CAS Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
OPENEYE Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
IUPAC Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
SYSTEMATIC NAME: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
MOLECULAR FORMULA: C12H20N2O4Pt
MOLECULAR WEIGHT: 451.3762
SMILES: C1CCC(C(C1)N)N.C1CC(C1)(C(=O)[O-])C(=O)[O-].[Pt+2]
Structure:
CAS RN: 110658-97-4
CAS Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
OPENEYE Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
IUPAC Name: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
SYSTEMATIC NAME: cyclobutane-1,1-dicarboxylate; cyclohexane-1,2-diamine; platinum(2+)
MOLECULAR FORMULA: C12H20N2O4Pt
MOLECULAR WEIGHT: 451.3762
SMILES: C1CCC(C(C1)N)N.C1CC(C1)(C(=O)[O-])C(=O)[O-].[Pt+2]
Structure:
CAS RN: 110577-69-0
CAS Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoic acid
OPENEYE Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-butanoic acid
IUPAC Name: 2-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methyl]-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C14H20O3
MOLECULAR WEIGHT: 236.3068
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)OC)C(=O)O
Structure:
CAS RN: 110577-68-9
CAS Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
OPENEYE Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-butanoic acid
IUPAC Name: 2-[(4-chlorophenyl)methyl]-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methyl]-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C13H17ClO2
MOLECULAR WEIGHT: 240.72588
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Cl)C(=O)O
Structure:
CAS RN: 110577-67-8
CAS Name: 3,3-dimethyl-2-(phenylmethyl)butanoic acid
OPENEYE Name: 2-benzyl-3,3-dimethyl-butanoic acid
IUPAC Name: 2-benzyl-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 3,3-dimethyl-2-(phenylmethyl)butanoic acid
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)(C)C(CC1=CC=CC=C1)C(=O)O
Structure:
CAS RN: 110577-64-5
CAS Name: 2-[(4-bromophenyl)methyl]-3,3-dimethylbutanoic acid
OPENEYE Name: 2-[(4-bromophenyl)methyl]-3,3-dimethyl-butanoic acid
IUPAC Name: 2-[(4-bromophenyl)methyl]-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 2-[(4-bromophenyl)methyl]-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C13H17BrO2
MOLECULAR WEIGHT: 285.17688
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Br)C(=O)O
Structure:
CAS RN: 110577-65-6
CAS Name: 2-[(4-bromophenyl)methyl]-3,3-dimethylbutanoic acid
OPENEYE Name: 2-[(4-bromophenyl)methyl]-3,3-dimethyl-butanoic acid
IUPAC Name: 2-[(4-bromophenyl)methyl]-3,3-dimethylbutanoic acid
SYSTEMATIC NAME: 2-[(4-bromophenyl)methyl]-3,3-dimethyl-butanoic acid
MOLECULAR FORMULA: C13H17BrO2
MOLECULAR WEIGHT: 285.17688
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Br)C(=O)O
Structure:
CAS RN: 110577-58-7
CAS Name: 2-[(4-bromophenyl)methyl]-1-(1-imidazolyl)-3,3-dimethyl-1-butanone
OPENEYE Name: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
MOLECULAR FORMULA: C16H19BrN2O
MOLECULAR WEIGHT: 335.23886
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Br)C(=O)N2C=CN=C2
Structure:
CAS RN: 89371-99-3
CAS Name: 2-[(4-bromophenyl)methyl]-1-(1-imidazolyl)-3,3-dimethyl-1-butanone
OPENEYE Name: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 2-[(4-bromophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
MOLECULAR FORMULA: C16H19BrN2O
MOLECULAR WEIGHT: 335.23886
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Br)C(=O)N2C=CN=C2
Structure:
CAS RN: 110577-57-6
CAS Name: 2-[(4-chlorophenyl)methyl]-1-(1-imidazolyl)-3,3-dimethyl-1-butanone
OPENEYE Name: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
MOLECULAR FORMULA: C16H19ClN2O
MOLECULAR WEIGHT: 290.78786
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Cl)C(=O)N2C=CN=C2
Structure:
CAS RN: 89371-98-2
CAS Name: 2-[(4-chlorophenyl)methyl]-1-(1-imidazolyl)-3,3-dimethyl-1-butanone
OPENEYE Name: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
MOLECULAR FORMULA: C16H19ClN2O
MOLECULAR WEIGHT: 290.78786
SMILES: CC(C)(C)C(CC1=CC=C(C=C1)Cl)C(=O)N2C=CN=C2
Structure:
CAS RN: 110577-56-5
CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-2-(phenylmethyl)-1-butanone
OPENEYE Name: 2-benzyl-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-benzyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 1-imidazol-1-yl-3,3-dimethyl-2-(phenylmethyl)butan-1-one
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CC(C)(C)C(CC1=CC=CC=C1)C(=O)N2C=CN=C2
Structure:
CAS RN: 89371-96-0
CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-2-(phenylmethyl)-1-butanone
OPENEYE Name: 2-benzyl-1-imidazol-1-yl-3,3-dimethyl-butan-1-one
IUPAC Name: 2-benzyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one
SYSTEMATIC NAME: 1-imidazol-1-yl-3,3-dimethyl-2-(phenylmethyl)butan-1-one
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CC(C)(C)C(CC1=CC=CC=C1)C(=O)N2C=CN=C2
Structure:
CAS RN: 1215-77-6
CAS Name: 1-(1-imidazolyl)-3,3-dimethyl-2-(2-phenylethyl)-1-butanone
OPENEYE Name: 1-imidazol-1-yl-3,3-dimethyl-2-(2-phenylethyl)butan-1-one
IUPAC Name: 1-imidazol-1-yl-3,3-dimethyl-2-(2-phenylethyl)butan-1-one
SYSTEMATIC NAME: 1-imidazol-1-yl-3,3-dimethyl-2-(2-phenylethyl)butan-1-one
MOLECULAR FORMULA: C17H22N2O
MOLECULAR WEIGHT: 270.36938
SMILES: CC(C)(C)C(CCC1=CC=CC=C1)C(=O)N2C=CN=C2
Structure:
CAS RN: 12141-11-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28O13
MOLECULAR WEIGHT: 512.46062
SMILES: COC1=C(C=C(C=C1)C(=O)O[C@H]2[C@@H]3C=CO[C@@H]([C@@H]3[C@@]4([C@H]2O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O
Structure:
CAS RN: 12115-85-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22O7
MOLECULAR WEIGHT: 410.41658
SMILES: CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@]4(C3=O)O)OC)OC
Structure:
CAS RN: 1211-58-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22O7
MOLECULAR WEIGHT: 410.41658
SMILES: CC(=C)[C@@H]1CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@]4(C3=O)O)OC)OC
Structure:
CAS RN: 121-04-0
CAS Name: [(2R,4S,6R)-4,6-dimethyl-1-sulfanylidene-1,3-dithian-2-yl]-diphenylphosphine
OPENEYE Name: [(2R,4S,6R)-4,6-dimethyl-1-thioxo-1,3-dithian-2-yl]-diphenyl-phosphane
IUPAC Name: [(2R,4S,6R)-4,6-dimethyl-1-sulfanylidene-1,3-dithian-2-yl]-diphenylphosphane
SYSTEMATIC NAME: [(2R,4S,6R)-4,6-dimethyl-1-sulfanylidene-1,3-dithian-2-yl]-diphenyl-phosphane
MOLECULAR FORMULA: C18H21PS3
MOLECULAR WEIGHT: 364.528101
SMILES: C[C@H]1C[C@H](S(=S)[C@@H](S1)P(C2=CC=CC=C2)C3=CC=CC=C3)C
Structure:
CAS RN: 1210-13-5
CAS Name: 1,2-disulfonylethane
OPENEYE Name: 1,2-disulfonylethane
IUPAC Name: 1,2-disulfonylethane
SYSTEMATIC NAME: 1,2-disulfonylethane
MOLECULAR FORMULA: C2H2O4S2
MOLECULAR WEIGHT: 154.16488
SMILES: C(=S(=O)=O)C=S(=O)=O
Structure:
CAS RN: 110485-60-4
CAS Name: 2,3,4,5-tetrachloro-6-ethoxycarbonylbenzoic acid
OPENEYE Name: 2,3,4,5-tetrachloro-6-ethoxycarbonyl-benzoic acid
IUPAC Name: 2,3,4,5-tetrachloro-6-ethoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2,3,4,5-tetrakis(chloranyl)-6-ethoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C10H6Cl4O4
MOLECULAR WEIGHT: 331.96424
SMILES: CCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O
Structure:
No comments:
Post a Comment