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

Systemtic Name: tert-butyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: tert-butyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoate CAS Name: 5-[4-(3-chlorophenyl)-1-piperazinyl]-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[4-(3-chlorophenyl)piperazin-1-yl]-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate Traditional Name: 5-[4-(3-chlorophenyl)piperazino]-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid tert-butyl ester Formula: C30H35ClN4O5 MolecularWeight: 567.0757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClN4O5/c1-30(2,3)40-27(36)13-12-24(29(38)35-16-14-34(15-17-35)21-9-7-8-20(31)18-21)33-28(37)25-19-26(39-4)22-10-5-6-11-23(22)32-25/h5-11,18-19,24H,12-17H2,1-4H3,(H,33,37)