3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(8-methylquinolin-4-yl)indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(8-methylquinolin-4-yl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(8-methyl-4-quinolyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(8-methyl-4-quinolinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(8-methylquinolin-4-yl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-(8-methyl-4-quinolyl)indole-6-carboxylic acid Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C=CN=C12)C3=C(C4=C(N3CC(=O)N(C)C)C=C(C=C4)C(=O)O)C5CCCCC5

Isomeric SMILES

CC1=CC=CC2=C(C=CN=C12)C3=C(C4=C(N3CC(=O)N(C)C)C=C(C=C4)C(=O)O)C5CCCCC5

InChI

InChI=1S/C29H31N3O3/c1-18-8-7-11-21-22(14-15-30-27(18)21)28-26(19-9-5-4-6-10-19)23-13-12-20(29(34)35)16-24(23)32(28)17-25(33)31(2)3/h7-8,11-16,19H,4-6,9-10,17H2,1-3H3,(H,34,35)