(2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate

Systemtic Name: (2R)-4-(4-bromophenyl)-4-oxidanylidene-2-[(phenylmethyl)azaniumyl]butanoate Openeye Name: (2R)-2-(benzylammonio)-4-(4-bromophenyl)-4-oxo-butanoate CAS Name: (2R)-4-(4-bromophenyl)-4-oxo-2-[(phenylmethyl)ammonio]butanoate IUPAC Name: (2R)-2-(benzylazaniumyl)-4-(4-bromophenyl)-4-oxobutanoate Traditional Name: (2R)-2-(benzylammonio)-4-(4-bromophenyl)-4-keto-butyrate Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrNO3/c18-14-8-6-13(7-9-14)16(20)10-15(17(21)22)19-11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2,(H,21,22)/t15-/m1/s1