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

Systemtic Name: 3-[[(2-chlorophenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(2-chlorophenyl)methylamino]methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[(2-chlorophenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(2-chlorophenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[[(2-chlorobenzyl)amino]methyl]-6-methyl-1-(4-methylbenzyl)indole-2-carboxylic acid Formula: C26H25ClN2O2 MolecularWeight: 432.9419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=CC=CC=C4Cl

InChI

InChI=1S/C26H25ClN2O2/c1-17-7-10-19(11-8-17)16-29-24-13-18(2)9-12-21(24)22(25(29)26(30)31)15-28-14-20-5-3-4-6-23(20)27/h3-13,28H,14-16H2,1-2H3,(H,30,31)