methyl 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate

Systemtic Name: methyl 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate Openeye Name: methyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxo-5-[4-(2-pyrimidinyl)-1-piperazinyl]pentanoic acid methyl ester IUPAC Name: methyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(2-pyrimidyl)piperazino]valeric acid methyl ester Formula: C25H28N6O5 MolecularWeight: 492.52702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H28N6O5/c1-35-21-16-20(28-18-7-4-3-6-17(18)21)23(33)29-19(8-9-22(32)36-2)24(34)30-12-14-31(15-13-30)25-26-10-5-11-27-25/h3-7,10-11,16,19H,8-9,12-15H2,1-2H3,(H,29,33)