3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[[(2-ethoxyphenyl)methylamino]methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 1-benzyl-3-[[(2-ethoxybenzyl)amino]methyl]-6-methoxy-indole-2-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O4/c1-3-33-25-12-8-7-11-20(25)16-28-17-23-22-14-13-21(32-2)15-24(22)29(26(23)27(30)31)18-19-9-5-4-6-10-19/h4-15,28H,3,16-18H2,1-2H3,(H,30,31)