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

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-15-4-5-17(12-16(15)2)20(29)24-13-19(28)30-14-18(27)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h3-7,12H,8-11,13-14H2,1-2H3,(H,24,29)