3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(4-methoxyphenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-[[(4-ethoxyphenyl)methylamino]methyl]-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-[[(4-ethoxybenzyl)amino]methyl]-1-p-anisyl-indole-2-carboxylic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)OC)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CNCC2=C(N(C3=CC=CC=C32)CC4=CC=C(C=C4)OC)C(=O)O

InChI

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