(2R)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-2-(phenethylazaniumyl)butanoate Openeye Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-(phenethylammonio)butanoate CAS Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-(phenethylammonio)butanoate IUPAC Name: (2R)-4-(4-fluoroanilino)-4-oxo-2-(phenethylazaniumyl)butanoate Traditional Name: (2R)-4-(4-fluoroanilino)-4-keto-2-(phenethylammonio)butyrate Formula: C18H19FN2O3 MolecularWeight: 330.353463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH2+]C(CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC[NH2+][C@H](CC(=O)NC2=CC=C(C=C2)F)C(=O)[O-]

InChI

InChI=1S/C18H19FN2O3/c19-14-6-8-15(9-7-14)21-17(22)12-16(18(23)24)20-11-10-13-4-2-1-3-5-13/h1-9,16,20H,10-12H2,(H,21,22)(H,23,24)/t16-/m1/s1