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

Systemtic Name: tert-butyl 4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(m-tolyl)piperazin-1-yl]-5-oxo-pentanoate CAS Name: 4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-[4-(3-methylphenyl)-1-piperazinyl]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-[4-(m-tolyl)piperazino]valeric acid tert-butyl ester Formula: C31H38N4O5 MolecularWeight: 546.65722

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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)OC

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)OC

InChI

InChI=1S/C31H38N4O5/c1-21-9-8-10-22(19-21)34-15-17-35(18-16-34)30(38)25(13-14-28(36)40-31(2,3)4)33-29(37)26-20-27(39-5)23-11-6-7-12-24(23)32-26/h6-12,19-20,25H,13-18H2,1-5H3,(H,33,37)