4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid

Systemtic Name: 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid Openeye Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-[4-(2-pyridyl)piperazin-1-yl]pentanoic acid CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxo-5-[4-(2-pyridinyl)-1-piperazinyl]pentanoic acid IUPAC Name: 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoic acid Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(2-pyridyl)piperazino]valeric acid Formula: C25H27N5O5 MolecularWeight: 477.51238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O5/c1-35-21-16-20(27-18-7-3-2-6-17(18)21)24(33)28-19(9-10-23(31)32)25(34)30-14-12-29(13-15-30)22-8-4-5-11-26-22/h2-8,11,16,19H,9-10,12-15H2,1H3,(H,28,33)(H,31,32)