4-(4-bromophenyl)-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid

Systemtic Name: 4-(4-bromophenyl)-4-oxidanylidene-2-(1-phenylethylamino)butanoic acid Openeye Name: 4-(4-bromophenyl)-4-oxo-2-(1-phenylethylamino)butanoic acid CAS Name: 4-(4-bromophenyl)-4-oxo-2-(1-phenylethylamino)butanoic acid IUPAC Name: 4-(4-bromophenyl)-4-oxo-2-(1-phenylethylamino)butanoic acid Traditional Name: 4-(4-bromophenyl)-4-keto-2-(1-phenylethylamino)butyric acid Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)NC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/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)