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

Systemtic Name: 4-[[4-(carboxymethyloxy)-6-fluoranyl-7-methyl-quinolin-2-yl]carbonylamino]-5-oxidanylidene-5-(4-phenylpiperazin-1-yl)pentanoic acid Openeye Name: 4-[[4-(carboxymethyloxy)-6-fluoro-7-methyl-quinoline-2-carbonyl]amino]-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid CAS Name: 4-[[[4-(carboxymethyloxy)-6-fluoro-7-methyl-2-quinolinyl]-oxomethyl]amino]-5-oxo-5-(4-phenyl-1-piperazinyl)pentanoic acid IUPAC Name: 4-[[4-(carboxymethyloxy)-6-fluoro-7-methylquinoline-2-carbonyl]amino]-5-oxo-5-(4-phenylpiperazin-1-yl)pentanoic acid Traditional Name: 4-[[4-(carboxymethyloxy)-6-fluoro-7-methyl-quinoline-2-carbonyl]amino]-5-keto-5-(4-phenylpiperazino)valeric acid Formula: C28H29FN4O7 MolecularWeight: 552.550863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N=C(C=C2OCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C2C(=C1)N=C(C=C2OCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N3CCN(CC3)C4=CC=CC=C4)F

InChI

InChI=1S/C28H29FN4O7/c1-17-13-22-19(14-20(17)29)24(40-16-26(36)37)15-23(30-22)27(38)31-21(7-8-25(34)35)28(39)33-11-9-32(10-12-33)18-5-3-2-4-6-18/h2-6,13-15,21H,7-12,16H2,1H3,(H,31,38)(H,34,35)(H,36,37)