[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-27-16-8-7-15(19(28-2)20(16)29-3)21(26)30-14-18(25)24-12-10-23(11-13-24)17-6-4-5-9-22-17/h4-9H,10-14H2,1-3H3