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

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(butylamino)benzoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C22H28N4O3/c1-2-3-11-23-19-9-5-4-8-18(19)22(28)29-17-21(27)26-15-13-25(14-16-26)20-10-6-7-12-24-20/h4-10,12,23H,2-3,11,13-17H2,1H3