4-(4-bromophenyl)-4-oxo-2-[(1-phenylethyl)amino]butanoic acid

CAS: 1030856-03-1

Formula: C18H18BrNO3

SMILES: CC(NC(CC(=O)C1=CC=C(Br)C=C1)C(O)=O)C1=CC=CC=C1

IUPAC: 4-(4-bromophenyl)-4-oxo-2-[(1-phenylethyl)amino]butanoic acid

InChI: InChI=1/C18H18BrNO3/c1-12(13-5-3-2-4-6-13)20-16(18(22)23)11-17(21)14-7-9-15(19)10-8-14/h2-10,12,16,20H,11H2,1H3,(H,22,23)

Composition: C (57.46%), H (4.82%), Br (21.24%), N (3.72%), O (12.76%)

Molar Mass: 376.25

Atom Count: 41

Heavy Atom Count: 23