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

Systemtic Name: 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1-(o-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1-[(2-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(4-chlorophenyl)methylamino]methyl]-6-methoxy-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[[(4-chlorobenzyl)amino]methyl]-6-methoxy-1-(2-methylbenzyl)indole-2-carboxylic acid Formula: C26H25ClN2O3 MolecularWeight: 448.9413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)OC)C(=C2C(=O)O)CNCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H25ClN2O3/c1-17-5-3-4-6-19(17)16-29-24-13-21(32-2)11-12-22(24)23(25(29)26(30)31)15-28-14-18-7-9-20(27)10-8-18/h3-13,28H,14-16H2,1-2H3,(H,30,31)