[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(ethoxymethyl)-4-methoxy-benzoate CAS Name: 3-(ethoxymethyl)-4-methoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(ethoxymethyl)-4-methoxybenzoate Traditional Name: 3-(ethoxymethyl)-4-methoxy-benzoic 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:

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OC

InChI

InChI=1S/C21H26N4O5/c1-3-29-14-17-13-16(5-6-18(17)28-2)20(27)30-15-19(26)24-9-11-25(12-10-24)21-22-7-4-8-23-21/h4-8,13H,3,9-12,14-15H2,1-2H3