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

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-[1-(phenylmethyl)pyrrol-3-yl]indole-6-carboxylic acid Openeye Name: 2-(1-benzylpyrrol-3-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-[1-(phenylmethyl)-3-pyrrolyl]-6-indolecarboxylic acid IUPAC Name: 2-(1-benzylpyrrol-3-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]indole-6-carboxylic acid Traditional Name: 2-(1-benzylpyrrol-3-yl)-3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]indole-6-carboxylic acid Formula: C30H33N3O3 MolecularWeight: 483.60132

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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)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=CN(C=C3)CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C30H33N3O3/c1-31(2)27(34)20-33-26-17-23(30(35)36)13-14-25(26)28(22-11-7-4-8-12-22)29(33)24-15-16-32(19-24)18-21-9-5-3-6-10-21/h3,5-6,9-10,13-17,19,22H,4,7-8,11-12,18,20H2,1-2H3,(H,35,36)