4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(phenethylamino)butanoic acid Openeye Name: 4-(3-chloroanilino)-4-oxo-2-(phenethylamino)butanoic acid CAS Name: 4-(3-chloroanilino)-4-oxo-2-(phenethylamino)butanoic acid IUPAC Name: 4-(3-chloroanilino)-4-oxo-2-(phenethylamino)butanoic acid Traditional Name: 4-(3-chloroanilino)-4-keto-2-(phenethylamino)butyric acid Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C18H19ClN2O3/c19-14-7-4-8-15(11-14)21-17(22)12-16(18(23)24)20-10-9-13-5-2-1-3-6-13/h1-8,11,16,20H,9-10,12H2,(H,21,22)(H,23,24)