2-[(4-bromophenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-4-oxidanylidene-4-[(phenylmethyl)amino]butanoic acid Openeye Name: 4-(benzylamino)-2-[(4-bromophenyl)methyl]-4-oxo-butanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-4-oxo-4-[(phenylmethyl)amino]butanoic acid IUPAC Name: 4-(benzylamino)-2-[(4-bromophenyl)methyl]-4-oxobutanoic acid Traditional Name: 4-(benzylamino)-2-(4-bromobenzyl)-4-keto-butyric acid Formula: C18H18BrNO3 MolecularWeight: 376.24442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CC(CC2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C18H18BrNO3/c19-16-8-6-13(7-9-16)10-15(18(22)23)11-17(21)20-12-14-4-2-1-3-5-14/h1-9,15H,10-12H2,(H,20,21)(H,22,23)