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

Systemtic Name: 4-[4-(phenylazanylmethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-(anilinomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid CAS Name: 4-[4-(anilinomethyl)-2-[(1-oxo-2-phenylpropyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-(anilinomethyl)-2-(2-phenylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-(anilinomethyl)-2-(hydratropoylamino)phenyl]butyric acid Formula: C26H28N2O3 MolecularWeight: 416.51212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)CNC3=CC=CC=C3)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)CNC3=CC=CC=C3)CCCC(=O)O

InChI

InChI=1S/C26H28N2O3/c1-19(21-9-4-2-5-10-21)26(31)28-24-17-20(18-27-23-12-6-3-7-13-23)15-16-22(24)11-8-14-25(29)30/h2-7,9-10,12-13,15-17,19,27H,8,11,14,18H2,1H3,(H,28,31)(H,29,30)