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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C22H26N4O4/c1-16-4-5-18(14-17(16)2)19(27)6-7-21(29)30-15-20(28)25-10-12-26(13-11-25)22-23-8-3-9-24-22/h3-5,8-9,14H,6-7,10-13,15H2,1-2H3