3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(1-phenethylpyrrol-3-yl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(1-phenethylpyrrol-3-yl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(1-phenethylpyrrol-3-yl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(1-phenethyl-3-pyrrolyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(1-phenethylpyrrol-3-yl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-(1-phenethylpyrrol-3-yl)indole-6-carboxylic acid Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN(C=C3)CCC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN(C=C3)CCC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C31H35N3O3/c1-32(2)28(35)21-34-27-19-24(31(36)37)13-14-26(27)29(23-11-7-4-8-12-23)30(34)25-16-18-33(20-25)17-15-22-9-5-3-6-10-22/h3,5-6,9-10,13-14,16,18-20,23H,4,7-8,11-12,15,17,21H2,1-2H3,(H,36,37)