tert-butyl 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate

Systemtic Name: tert-butyl 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate Openeye Name: tert-butyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-[4-(2-pyridyl)piperazin-1-yl]pentanoate CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxo-5-[4-(2-pyridinyl)-1-piperazinyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-5-(4-pyridin-2-ylpiperazin-1-yl)pentanoate Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(2-pyridyl)piperazino]valeric acid tert-butyl ester Formula: C29H35N5O5 MolecularWeight: 533.6187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC(=O)C3=NC4=CC=CC=C4C(=C3)OC

InChI

InChI=1S/C29H35N5O5/c1-29(2,3)39-26(35)13-12-22(28(37)34-17-15-33(16-18-34)25-11-7-8-14-30-25)32-27(36)23-19-24(38-4)20-9-5-6-10-21(20)31-23/h5-11,14,19,22H,12-13,15-18H2,1-4H3,(H,32,36)