4-(4-bromophenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: 4-(4-bromophenyl)-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: 4-(4-bromophenyl)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: 4-(4-bromophenyl)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: 4-(4-bromophenyl)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: 4-(4-bromophenyl)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C16H15BrN2O3 MolecularWeight: 363.2059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN2O3/c17-13-5-3-12(4-6-13)15(20)8-14(16(21)22)19-10-11-2-1-7-18-9-11/h1-7,9,14,19H,8,10H2,(H,21,22)