6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid CAS Name: 6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Traditional Name: 1-benzyl-6-methoxy-3-[[(4-methylcyclohexyl)amino]methyl]indole-2-carboxylic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1CCC(CC1)NCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H30N2O3/c1-17-8-10-19(11-9-17)26-15-22-21-13-12-20(30-2)14-23(21)27(24(22)25(28)29)16-18-6-4-3-5-7-18/h3-7,12-14,17,19,26H,8-11,15-16H2,1-2H3,(H,28,29)