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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O5/c1-32-22-16-20(8-9-21(22)33-17-19-6-3-2-4-7-19)24(31)34-18-23(30)28-12-14-29(15-13-28)25-26-10-5-11-27-25/h2-11,16H,12-15,17-18H2,1H3