[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-chloranyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 3-chloro-5-methoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propoxybenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 3-chloro-5-methoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-methoxy-4-propoxy-benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H26ClN3O5 MolecularWeight: 447.91194

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3)OC

InChI

InChI=1S/C22H26ClN3O5/c1-3-12-30-21-17(23)13-16(14-18(21)29-2)22(28)31-15-20(27)26-10-8-25(9-11-26)19-6-4-5-7-24-19/h4-7,13-14H,3,8-12,15H2,1-2H3