3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methoxy-indole-2-carboxylic acid CAS Name: 3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methoxy-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-[[(2,5-dimethoxyphenyl)methylamino]methyl]-6-methoxyindole-2-carboxylic acid Traditional Name: 1-benzyl-3-[[(2,5-dimethoxybenzyl)amino]methyl]-6-methoxy-indole-2-carboxylic acid Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNCC2=C(N(C3=C2C=CC(=C3)OC)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H28N2O5/c1-32-20-10-12-25(34-3)19(13-20)15-28-16-23-22-11-9-21(33-2)14-24(22)29(26(23)27(30)31)17-18-7-5-4-6-8-18/h4-14,28H,15-17H2,1-3H3,(H,30,31)