[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O5/c1-32-23-17-21(10-11-22(23)33-18-20-7-3-2-4-8-20)26(31)34-19-25(30)29-15-13-28(14-16-29)24-9-5-6-12-27-24/h2-12,17H,13-16,18-19H2,1H3