2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[6-fluoranyl-7-methyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[6-fluoranyl-7-methyl-4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)quinolin-2-yl]carbonylamino]butanoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[6-fluoro-4-(2-hydroxy-2-oxo-1-phenyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]butanoic acid CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-4-[[[6-fluoro-4-(2-hydroxy-2-oxo-1-phenylethoxy)-7-methyl-2-quinolinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[6-fluoro-4-(2-hydroxy-2-oxo-1-phenylethoxy)-7-methylquinoline-2-carbonyl]amino]butanoic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[6-fluoro-4-(2-hydroxy-2-keto-1-phenyl-ethoxy)-7-methyl-quinoline-2-carbonyl]amino]butyric acid Formula: C31H33FN4O9 MolecularWeight: 624.613523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC(=C(C=C3C(=C2)OC(C4=CC=CC=C4)C(=O)O)F)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC(=C(C=C3C(=C2)OC(C4=CC=CC=C4)C(=O)O)F)C)C(=O)O

InChI

InChI=1S/C31H33FN4O9/c1-3-44-31(43)36-13-11-35(12-14-36)28(38)20(29(39)40)9-10-33-27(37)24-17-25(21-16-22(32)18(2)15-23(21)34-24)45-26(30(41)42)19-7-5-4-6-8-19/h4-8,15-17,20,26H,3,9-14H2,1-2H3,(H,33,37)(H,39,40)(H,41,42)