4-[(3-fluorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-[(3-fluorophenyl)amino]-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-(3-fluoroanilino)-4-oxo-butanoic acid CAS Name: 4-(3-fluoroanilino)-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-(3-fluoroanilino)-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-(3-fluoroanilino)-4-keto-butyric acid Formula: C17H17FN2O3 MolecularWeight: 316.326883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C17H17FN2O3/c18-13-7-4-8-14(9-13)20-17(23)15(10-16(21)22)19-11-12-5-2-1-3-6-12/h1-9,15,19H,10-11H2,(H,20,23)(H,21,22)