4-[[4-(carboxymethyloxy)-6-fluoranyl-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[4-(carboxymethyloxy)-6-fluoranyl-7-methyl-quinolin-2-yl]carbonylamino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[4-(carboxymethyloxy)-6-fluoro-7-methyl-quinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxo-pentanoic acid CAS Name: 4-[[[4-(carboxymethyloxy)-6-fluoro-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-(4-ethoxycarbonyl-1-piperazinyl)-5-oxopentanoic acid IUPAC Name: 4-[[4-(carboxymethyloxy)-6-fluoro-7-methylquinoline-2-carbonyl]amino]-5-(4-ethoxycarbonylpiperazin-1-yl)-5-oxopentanoic acid Traditional Name: 5-(4-carbethoxypiperazino)-4-[[4-(carboxymethyloxy)-6-fluoro-7-methyl-quinoline-2-carbonyl]amino]-5-keto-valeric acid Formula: C25H29FN4O9 MolecularWeight: 548.517563

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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)OCC(=O)O)F)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)O)NC(=O)C2=NC3=CC(=C(C=C3C(=C2)OCC(=O)O)F)C

InChI

InChI=1S/C25H29FN4O9/c1-3-38-25(37)30-8-6-29(7-9-30)24(36)17(4-5-21(31)32)28-23(35)19-12-20(39-13-22(33)34)15-11-16(26)14(2)10-18(15)27-19/h10-12,17H,3-9,13H2,1-2H3,(H,28,35)(H,31,32)(H,33,34)