4-[4-[[(3-ethoxyphenyl)carbonylamino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[[(3-ethoxyphenyl)carbonylamino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[[(3-ethoxybenzoyl)amino]methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[[[(3-ethoxyphenyl)-oxomethyl]amino]methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[[(3-ethoxybenzoyl)amino]methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[[(3-ethoxybenzoyl)amino]methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C33H34N2O5 MolecularWeight: 538.63346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NCC2=CC(=C(C=C2)CCCC(=O)O)NC(=O)C(C)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NCC2=CC(=C(C=C2)CCCC(=O)O)NC(=O)C(C)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C33H34N2O5/c1-3-40-27-13-6-12-26(20-27)33(39)34-21-23-17-18-25(11-8-16-31(36)37)30(19-23)35-32(38)22(2)28-15-7-10-24-9-4-5-14-29(24)28/h4-7,9-10,12-15,17-20,22H,3,8,11,16,21H2,1-2H3,(H,34,39)(H,35,38)(H,36,37)