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

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-(3-methylphenyl)indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(m-tolyl)indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-methylphenyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(3-methylphenyl)indole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-(m-tolyl)indole-6-carboxylic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C3=C(N2CC(=O)N(C)C)C=C(C=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C3=C(N2CC(=O)N(C)C)C=C(C=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C26H30N2O3/c1-17-8-7-11-19(14-17)25-24(18-9-5-4-6-10-18)21-13-12-20(26(30)31)15-22(21)28(25)16-23(29)27(2)3/h7-8,11-15,18H,4-6,9-10,16H2,1-3H3,(H,30,31)