6-methoxy-3-[[2-(2-methylphenyl)ethylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 6-methoxy-3-[[2-(2-methylphenyl)ethylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 6-methoxy-3-[[2-(o-tolyl)ethylamino]methyl]-1-(o-tolylmethyl)indole-2-carboxylic acid CAS Name: 6-methoxy-3-[[2-(2-methylphenyl)ethylamino]methyl]-1-[(2-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 6-methoxy-3-[[2-(2-methylphenyl)ethylamino]methyl]-1-[(2-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-1-(2-methylbenzyl)-3-[[2-(o-tolyl)ethylamino]methyl]indole-2-carboxylic acid Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CCNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C28H30N2O3/c1-19-8-4-6-10-21(19)14-15-29-17-25-24-13-12-23(33-3)16-26(24)30(27(25)28(31)32)18-22-11-7-5-9-20(22)2/h4-13,16,29H,14-15,17-18H2,1-3H3,(H,31,32)