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

Systemtic Name: 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-6-methyl-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-6-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methyl-1-(4-methylbenzyl)-3-[(o-veratrylamino)methyl]indole-2-carboxylic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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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=C(C(=CC=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C)C(=C2C(=O)O)CNCC4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C28H30N2O4/c1-18-8-11-20(12-9-18)17-30-24-14-19(2)10-13-22(24)23(26(30)28(31)32)16-29-15-21-6-5-7-25(33-3)27(21)34-4/h5-14,29H,15-17H2,1-4H3,(H,31,32)