[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC

InChI

InChI=1S/C21H26N4O5/c1-3-28-17-7-6-16(14-18(17)29-4-2)20(27)30-15-19(26)24-10-12-25(13-11-24)21-22-8-5-9-23-21/h5-9,14H,3-4,10-13,15H2,1-2H3