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

Systemtic Name: 4-[[6-chloranyl-4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[6-chloro-4-(2-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-2-keto-1,1-dimethyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C29H37ClN4O9 MolecularWeight: 621.07848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC(=NC2=CC(=C(C=C21)Cl)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC(=NC2=CC(=C(C=C21)Cl)C)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C29H37ClN4O9/c1-6-41-27(39)29(4,5)43-23-16-22(31-21-14-17(3)19(30)15-18(21)23)25(37)32-20(8-9-24(35)36)26(38)33-10-12-34(13-11-33)28(40)42-7-2/h14-16,20H,6-13H2,1-5H3,(H,32,37)(H,35,36)