4-[[6-chloranyl-7-methyl-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[6-chloranyl-7-methyl-4-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[6-chloro-4-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[6-chloro-4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[6-chloro-4-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[6-chloro-4-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C27H33ClN4O9 MolecularWeight: 593.02532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC(=C(C=C3C(=C2)OC(C)(C)C(=O)O)Cl)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC(=C(C=C3C(=C2)OC(C)(C)C(=O)O)Cl)C

InChI

InChI=1S/C27H33ClN4O9/c1-5-40-26(39)32-10-8-31(9-11-32)24(36)18(6-7-22(33)34)30-23(35)20-14-21(41-27(3,4)25(37)38)16-13-17(28)15(2)12-19(16)29-20/h12-14,18H,5-11H2,1-4H3,(H,30,35)(H,33,34)(H,37,38)