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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNCC2=C(N(C3=C2C=CC(=C3)C)CC4=CC=C(C=C4)C)C(=O)O

InChI

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