6-methyl-1-[(2-methylphenyl)methyl]-3-[[(4-methylphenyl)methylamino]methyl]indole-2-carboxylic acid

Systemtic Name: 6-methyl-1-[(2-methylphenyl)methyl]-3-[[(4-methylphenyl)methylamino]methyl]indole-2-carboxylic acid Openeye Name: 6-methyl-1-(o-tolylmethyl)-3-[(p-tolylmethylamino)methyl]indole-2-carboxylic acid CAS Name: 6-methyl-1-[(2-methylphenyl)methyl]-3-[[(4-methylphenyl)methylamino]methyl]-2-indolecarboxylic acid IUPAC Name: 6-methyl-1-[(2-methylphenyl)methyl]-3-[[(4-methylphenyl)methylamino]methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-1-(2-methylbenzyl)-3-[[(4-methylbenzyl)amino]methyl]indole-2-carboxylic acid Formula: C27H28N2O2 MolecularWeight: 412.52342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C27H28N2O2/c1-18-8-11-21(12-9-18)15-28-16-24-23-13-10-19(2)14-25(23)29(26(24)27(30)31)17-22-7-5-4-6-20(22)3/h4-14,28H,15-17H2,1-3H3,(H,30,31)