Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-6-chloranyl-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H29ClO4
MOLECULAR WEIGHT: 404.92696
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@]34C)Cl)C)OC(=O)C
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Product OPENEYE NAME: [(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(9S,14S,17R)-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H32O4
MOLECULAR WEIGHT: 372.49778
SMILES: CC(=O)[C@]1(CC[C@@H]2C1(CC[C@H]3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
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Product OPENEYE NAME: 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenyl-acetate
CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl 2-hydroxy-2,2-diphenylacetate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C20H25NO3
MOLECULAR WEIGHT: 327.4174
SMILES: CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
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Product OPENEYE NAME: 1-(3-cyano-3,3-diphenyl-propyl)-4-(1-piperidyl)piperidine-4-carboxamide
CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-(1-piperidinyl)-4-piperidinecarboxamide
IUPAC NAME: 1-(3-cyano-3,3-diphenylpropyl)-4-piperidin-1-ylpiperidine-4-carboxamide
SYSTEMATIC NAME: 1-(3-cyano-3,3-diphenyl-propyl)-4-piperidin-1-yl-piperidine-4-carboxamide
MOLECULAR FORMULA: C27H34N4O
MOLECULAR WEIGHT: 430.58506
SMILES: C1CCN(CC1)C2(CCN(CC2)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N
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Product OPENEYE NAME: ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
CAS Name: N-[bis(1-aziridinyl)phosphoryl]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
SYSTEMATIC NAME: ethyl N-[bis(aziridin-1-yl)phosphoryl]carbamate
MOLECULAR FORMULA: C7H14N3O3P
MOLECULAR WEIGHT: 219.178121
SMILES: CCOC(=O)NP(=O)(N1CC1)N2CC2
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Product OPENEYE NAME: (1-ethyl-1-methyl-prop-2-ynyl) carbamate
CAS Name: carbamic acid 3-methylpent-1-yn-3-yl ester
IUPAC NAME: 3-methylpent-1-yn-3-yl carbamate
SYSTEMATIC NAME: 3-methylpent-1-yn-3-yl carbamate
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CCC(C)(C#C)OC(=O)N
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine oxide hydrochloride
CAS Name: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide hydrochloride
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine oxide hydrochloride
MOLECULAR FORMULA: C5H12Cl3NO
MOLECULAR WEIGHT: 208.51388
SMILES: C[N+](CCCl)(CCCl)[O-].Cl
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Product OPENEYE NAME: 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine oxide
CAS Name: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
IUPAC NAME: 2-chloro-N-(2-chloroethyl)-N-methylethanamine oxide
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-methyl-ethanamine oxide
MOLECULAR FORMULA: C5H11Cl2NO
MOLECULAR WEIGHT: 172.05294
SMILES: C[N+](CCCl)(CCCl)[O-]
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Product OPENEYE NAME: ethyl-(3-hydroxyphenyl)-dimethyl-ammonium bromide
CAS Name: ethyl-(3-hydroxyphenyl)-dimethylammonium bromide
IUPAC NAME: ethyl-(3-hydroxyphenyl)-dimethylazanium bromide
SYSTEMATIC NAME: ethyl-(3-hydroxyphenyl)-dimethyl-azanium bromide
MOLECULAR FORMULA: C10H16BrNO
MOLECULAR WEIGHT: 246.14414
SMILES: CC[N+](C)(C)C1=CC(=CC=C1)O.[Br-]
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Product OPENEYE NAME: 2,3-dichloro-1,1,1,4,4,4-hexafluoro-but-2-ene
CAS Name: 2,3-dichloro-1,1,1,4,4,4-hexafluoro-2-butene
IUPAC NAME: 2,3-dichloro-1,1,1,4,4,4-hexafluorobut-2-ene
SYSTEMATIC NAME: 2,3-bis(chloranyl)-1,1,1,4,4,4-hexakis(fluoranyl)but-2-ene
MOLECULAR FORMULA: C4Cl2F6
MOLECULAR WEIGHT: 232.939219
SMILES: C(=C(C(F)(F)F)Cl)(C(F)(F)F)Cl
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Product OPENEYE NAME: 2,6-dihydroxybenzoic acid
CAS Name: 2,6-dihydroxybenzoic acid
IUPAC NAME: 2,6-dihydroxybenzoic acid
SYSTEMATIC NAME: 2,6-bis(oxidanyl)benzoic acid
MOLECULAR FORMULA: C7H6O4
MOLECULAR WEIGHT: 154.12014
SMILES: C1=CC(=C(C(=C1)O)C(=O)O)O
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Product OPENEYE NAME: 6-isopropyl-3-methyl-2,4-dinitro-phenol
CAS Name: 3-methyl-2,4-dinitro-6-propan-2-ylphenol
IUPAC NAME: 3-methyl-2,4-dinitro-6-propan-2-ylphenol
SYSTEMATIC NAME: 3-methyl-2,4-dinitro-6-propan-2-yl-phenol
MOLECULAR FORMULA: C10H12N2O5
MOLECULAR WEIGHT: 240.21268
SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])O)C(C)C)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[(4-chlorophenyl)-phenyl-methyl]piperazine
CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine
IUPAC NAME: 1-[(4-chlorophenyl)-phenylmethyl]piperazine
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-phenyl-methyl]piperazine
MOLECULAR FORMULA: C17H19ClN2
MOLECULAR WEIGHT: 286.79916
SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-isopropyl-3-methoxy-butanoate
CAS Name: 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl ester
IUPAC NAME: (7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: (7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-(1-methoxyethyl)-3-methyl-2-oxidanyl-butanoate
MOLECULAR FORMULA: C16H27NO5
MOLECULAR WEIGHT: 313.38928
SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1C(CC2)O)O
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