[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C19H20BrN3O4 MolecularWeight: 434.2838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H20BrN3O4/c1-26-14-5-6-16(20)15(12-14)19(25)27-13-18(24)23-10-8-22(9-11-23)17-4-2-3-7-21-17/h2-7,12H,8-11,13H2,1H3