2-ethoxy-3-[4-[3-[[(4-ethoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[3-[[(4-ethoxyphenyl)carbonyl-methyl-amino]methyl]phenyl]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[3-[[(4-ethoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[3-[[[(4-ethoxyphenyl)-oxomethyl]-methylamino]methyl]phenyl]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[3-[[(4-ethoxybenzoyl)-methylamino]methyl]phenyl]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[3-[[(4-ethoxybenzoyl)-methyl-amino]methyl]phenyl]phenyl]propionic acid Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(C)CC2=CC=CC(=C2)C3=CC=C(C=C3)CC(C(=O)O)OCC

InChI

InChI=1S/C28H31NO5/c1-4-33-25-15-13-23(14-16-25)27(30)29(3)19-21-7-6-8-24(17-21)22-11-9-20(10-12-22)18-26(28(31)32)34-5-2/h6-17,26H,4-5,18-19H2,1-3H3,(H,31,32)