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

Systemtic Name: 3-[[2-(4-ethoxyphenyl)ethylamino]methyl]-6-methoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[2-(4-ethoxyphenyl)ethylamino]methyl]-6-methoxy-1-(p-tolylmethyl)indole-2-carboxylic acid CAS Name: 3-[[2-(4-ethoxyphenyl)ethylamino]methyl]-6-methoxy-1-[(4-methylphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[2-(4-ethoxyphenyl)ethylamino]methyl]-6-methoxy-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid Traditional Name: 6-methoxy-1-(4-methylbenzyl)-3-[(2-p-phenetylethylamino)methyl]indole-2-carboxylic acid Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=C(C=C4)C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CCNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=C(C=C4)C)C(=O)O

InChI

InChI=1S/C29H32N2O4/c1-4-35-23-11-9-21(10-12-23)15-16-30-18-26-25-14-13-24(34-3)17-27(25)31(28(26)29(32)33)19-22-7-5-20(2)6-8-22/h5-14,17,30H,4,15-16,18-19H2,1-3H3,(H,32,33)