methyl 5-(4-aminocarbonylpiperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(4-aminocarbonylpiperazin-1-yl)-4-[(4-methoxyquinolin-2-yl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxo-pentanoate CAS Name: 5-(4-carbamoyl-1-piperazinyl)-4-[[(4-methoxy-2-quinolinyl)-oxomethyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(4-carbamoylpiperazin-1-yl)-4-[(4-methoxyquinoline-2-carbonyl)amino]-5-oxopentanoate Traditional Name: 5-(4-carbamoylpiperazino)-5-keto-4-[(4-methoxyquinoline-2-carbonyl)amino]valeric acid methyl ester Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C(=O)N

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)C(=O)NC(CCC(=O)OC)C(=O)N3CCN(CC3)C(=O)N

InChI

InChI=1S/C22H27N5O6/c1-32-18-13-17(24-15-6-4-3-5-14(15)18)20(29)25-16(7-8-19(28)33-2)21(30)26-9-11-27(12-10-26)22(23)31/h3-6,13,16H,7-12H2,1-2H3,(H2,23,31)(H,25,29)