2-[5-[[(4-nitrophenyl)carbonyl-(3-phenylpropyl)amino]methyl]-2-phenylmethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[5-[[(4-nitrophenyl)carbonyl-(3-phenylpropyl)amino]methyl]-2-phenylmethoxy-phenoxy]ethanoic acid Openeye Name: 2-[2-benzyloxy-5-[[(4-nitrobenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[5-[[[(4-nitrophenyl)-oxomethyl]-(3-phenylpropyl)amino]methyl]-2-phenylmethoxyphenoxy]acetic acid IUPAC Name: 2-[5-[[(4-nitrobenzoyl)-(3-phenylpropyl)amino]methyl]-2-phenylmethoxyphenoxy]acetic acid Traditional Name: 2-[2-benzoxy-5-[[(4-nitrobenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid Formula: C32H30N2O7 MolecularWeight: 554.5898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCN(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H30N2O7/c35-31(36)23-41-30-20-26(13-18-29(30)40-22-25-10-5-2-6-11-25)21-33(19-7-12-24-8-3-1-4-9-24)32(37)27-14-16-28(17-15-27)34(38)39/h1-6,8-11,13-18,20H,7,12,19,21-23H2,(H,35,36)