4-[4-(benzamidomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-(benzamidomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(benzamidomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid CAS Name: 4-[4-(benzamidomethyl)-2-[(1-oxo-2-phenylpropyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-(benzamidomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(benzamidomethyl)-2-(hydratropoylamino)phenyl]butyric acid Formula: C27H28N2O4 MolecularWeight: 444.52222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)CNC(=O)C3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)CNC(=O)C3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/C27H28N2O4/c1-19(21-9-4-2-5-10-21)26(32)29-24-17-20(15-16-22(24)13-8-14-25(30)31)18-28-27(33)23-11-6-3-7-12-23/h2-7,9-12,15-17,19H,8,13-14,18H2,1H3,(H,28,33)(H,29,32)(H,30,31)