[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C26H25N3O5 MolecularWeight: 459.4938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C26H25N3O5/c1-19(30)34-23-11-9-21(10-12-23)20-5-7-22(8-6-20)26(32)33-18-25(31)29-16-14-28(15-17-29)24-4-2-3-13-27-24/h2-13H,14-18H2,1H3