Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)acetamide
CAS Name: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-[3-(1-pyrrolidinyl)propyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-(3-pyrrolidin-1-ylpropyl)acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxidanylidene-N-(3-pyrrolidin-1-ylpropyl)ethanamide
MOLECULAR FORMULA: C24H33N3O2
MOLECULAR WEIGHT: 395.53772
SMILES: C1CCC(CC1)CN(CCCN2CCCC2)C(=O)C(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: N-cyclohexyl-2-(6-methoxy-1H-indol-3-yl)-N-methyl-2-oxo-acetamide
CAS Name: N-cyclohexyl-2-(6-methoxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
IUPAC NAME: N-cyclohexyl-2-(6-methoxy-1H-indol-3-yl)-N-methyl-2-oxoacetamide
SYSTEMATIC NAME: N-cyclohexyl-2-(6-methoxy-1H-indol-3-yl)-N-methyl-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C18H22N2O3
MOLECULAR WEIGHT: 314.37888
SMILES: CN(C1CCCCC1)C(=O)C(=O)C2=CNC3=C2C=CC(=C3)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H68Cl2N2O10
MOLECULAR WEIGHT: 903.96692
SMILES: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O.C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.O.O.Cl.Cl
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Product OPENEYE NAME: calcium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CAS Name: calcium sulfuric acid [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: calcium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SYSTEMATIC NAME: calcium [(3S,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C19H28CaO5S+2
MOLECULAR WEIGHT: 408.56562
SMILES: C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C.[Ca+2]
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Product OPENEYE NAME: lithium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
CAS Name: lithium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
IUPAC NAME: lithium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
SYSTEMATIC NAME: lithium [(3S,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
MOLECULAR FORMULA: C19H27LiO5S
MOLECULAR WEIGHT: 374.42068
SMILES: [Li+].C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C
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Product OPENEYE NAME: calcium 2-[[oxido(phenyl)methylene]amino]acetate
CAS Name: calcium 2-[[oxido(phenyl)methylidene]amino]acetate
IUPAC NAME: calcium 2-[[oxido(phenyl)methylidene]amino]acetate
SYSTEMATIC NAME: calcium 2-[[oxidanidyl(phenyl)methylidene]amino]ethanoate
MOLECULAR FORMULA: C9H7CaNO3
MOLECULAR WEIGHT: 217.23478
SMILES: C1=CC=C(C=C1)C(=NCC(=O)[O-])[O-].[Ca+2]
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Product OPENEYE NAME: calcium 3-cyclopentylpropanoic acid
CAS Name: calcium 3-cyclopentylpropanoic acid
IUPAC NAME: calcium 3-cyclopentylpropanoic acid
SYSTEMATIC NAME: calcium 3-cyclopentylpropanoic acid
MOLECULAR FORMULA: C8H14CaO2+2
MOLECULAR WEIGHT: 182.27356
SMILES: C1CCC(C1)CCC(=O)O.[Ca+2]
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Product OPENEYE NAME: calcium 2,2-dimethylpropanoic acid
CAS Name: calcium 2,2-dimethylpropanoic acid
IUPAC NAME: calcium 2,2-dimethylpropanoic acid
SYSTEMATIC NAME: calcium 2,2-dimethylpropanoic acid
MOLECULAR FORMULA: C5H10CaO2+2
MOLECULAR WEIGHT: 142.2097
SMILES: CC(C)(C)C(=O)O.[Ca+2]
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Product OPENEYE NAME: calcium carboxymethyl(trimethyl)ammonium
CAS Name: calcium carboxymethyl(trimethyl)ammonium
IUPAC NAME: calcium carboxymethyl(trimethyl)azanium
SYSTEMATIC NAME: calcium 2-hydroxy-2-oxoethyl(trimethyl)azanium
MOLECULAR FORMULA: C5H12CaNO2+3
MOLECULAR WEIGHT: 158.23228
SMILES: C[N+](C)(C)CC(=O)O.[Ca+2]
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Product OPENEYE NAME: calcium 2-azanidylpropanoate
CAS Name: calcium 2-azanidylpropanoate
IUPAC NAME: calcium 2-azanidylpropanoate
SYSTEMATIC NAME: calcium 2-azanidylpropanoate
MOLECULAR FORMULA: C3H5CaNO2
MOLECULAR WEIGHT: 127.1553
SMILES: CC(C(=O)[O-])[NH-].[Ca+2]
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Product OPENEYE NAME: magnesium 4-[carboxylato(dimethyl)ammonio]-3-oxido-butanoate
CAS Name: magnesium 4-[carboxylato(dimethyl)ammonio]-3-oxidobutanoate
IUPAC NAME: magnesium 4-[carboxylato(dimethyl)azaniumyl]-3-oxidobutanoate
SYSTEMATIC NAME: magnesium 4-[carboxylato(dimethyl)azaniumyl]-3-oxidanidyl-butanoate
MOLECULAR FORMULA: C7H11MgNO5
MOLECULAR WEIGHT: 213.47094
SMILES: C[N+](C)(CC(CC(=O)[O-])[O-])C(=O)[O-].[Mg+2]
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Product OPENEYE NAME: calcium (2S)-2-azanidylpropanoate
CAS Name: calcium (2S)-2-azanidylpropanoate
IUPAC NAME: calcium (2S)-2-azanidylpropanoate
SYSTEMATIC NAME: calcium (2S)-2-azanidylpropanoate
MOLECULAR FORMULA: C3H5CaNO2
MOLECULAR WEIGHT: 127.1553
SMILES: C[C@@H](C(=O)[O-])[NH-].[Ca+2]
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Product OPENEYE NAME: (4S)-4-amino-5-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-5-oxo-pentanoic acid
CAS Name: (4S)-4-amino-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
IUPAC NAME: (4S)-4-amino-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C10H19N3O4
MOLECULAR WEIGHT: 245.27556
SMILES: CC(C)[C@@H](C(=O)N)NC(=O)[C@H](CCC(=O)O)N
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