tert-butyl 5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]pentanoate

Systemtic Name: tert-butyl 5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-4-[(4-phenylmethoxyquinolin-2-yl)carbonylamino]pentanoate Openeye Name: tert-butyl 4-[(4-benzyloxyquinoline-2-carbonyl)amino]-5-[4-(m-tolyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-(3-methylphenyl)-1-piperazinyl]-5-oxo-4-[[oxo-(4-phenylmethoxy-2-quinolinyl)methyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxo-4-[(4-phenylmethoxyquinoline-2-carbonyl)amino]pentanoate Traditional Name: 4-[(4-benzoxyquinoline-2-carbonyl)amino]-5-keto-5-[4-(m-tolyl)piperazino]valeric acid tert-butyl ester Formula: C37H42N4O5 MolecularWeight: 622.75318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C3=NC4=CC=CC=C4C(=C3)OCC5=CC=CC=C5

InChI

InChI=1S/C37H42N4O5/c1-26-11-10-14-28(23-26)40-19-21-41(22-20-40)36(44)31(17-18-34(42)46-37(2,3)4)39-35(43)32-24-33(29-15-8-9-16-30(29)38-32)45-25-27-12-6-5-7-13-27/h5-16,23-24,31H,17-22,25H2,1-4H3,(H,39,43)