(2S)-4-(4-chlorophenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-chlorophenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-chlorophenyl)-2-[(4-fluorophenyl)methylammonio]-4-oxo-butanoate CAS Name: (2S)-4-(4-chlorophenyl)-2-[(4-fluorophenyl)methylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-chlorophenyl)-2-[(4-fluorophenyl)methylazaniumyl]-4-oxobutanoate Traditional Name: (2S)-4-(4-chlorophenyl)-2-[(4-fluorobenzyl)ammonio]-4-keto-butyrate Formula: C17H15ClFNO3 MolecularWeight: 335.757303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[NH2+]C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C[NH2+][C@@H](CC(=O)C2=CC=C(C=C2)Cl)C(=O)[O-])F

InChI

InChI=1S/C17H15ClFNO3/c18-13-5-3-12(4-6-13)16(21)9-15(17(22)23)20-10-11-1-7-14(19)8-2-11/h1-8,15,20H,9-10H2,(H,22,23)/t15-/m0/s1