2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[6-fluoranyl-4-[1-(2-fluorophenyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-7-methyl-quinolin-2-yl]carbonylamino]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-[[6-fluoranyl-4-[1-(2-fluorophenyl)-2-oxidanyl-2-oxidanylidene-ethoxy]-7-methyl-quinolin-2-yl]carbonylamino]butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[6-fluoro-4-[1-(2-fluorophenyl)-2-hydroxy-2-oxo-ethoxy]-7-methyl-quinoline-2-carbonyl]amino]butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-4-[[[6-fluoro-4-[1-(2-fluorophenyl)-2-hydroxy-2-oxoethoxy]-7-methyl-2-quinolinyl]-oxomethyl]amino]butanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 2-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-[[6-fluoro-4-[1-(2-fluorophenyl)-2-hydroxy-2-oxoethoxy]-7-methylquinoline-2-carbonyl]amino]butanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 2-(4-carbethoxypiperazine-1-carbonyl)-4-[[6-fluoro-4-[1-(2-fluorophenyl)-2-hydroxy-2-keto-ethoxy]-7-methyl-quinoline-2-carbonyl]amino]butyric acid; 2,2,2-trifluoroacetic acid Formula: C33H33F5N4O11 MolecularWeight: 756.627336

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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=C4F)C(=O)O)F)C)C(=O)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C(CCNC(=O)C2=NC3=CC(=C(C=C3C(=C2)OC(C4=CC=CC=C4F)C(=O)O)F)C)C(=O)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H32F2N4O9.C2HF3O2/c1-3-45-31(44)37-12-10-36(11-13-37)28(39)19(29(40)41)8-9-34-27(38)24-16-25(20-15-22(33)17(2)14-23(20)35-24)46-26(30(42)43)18-6-4-5-7-21(18)32;3-2(4,5)1(6)7/h4-7,14-16,19,26H,3,8-13H2,1-2H3,(H,34,38)(H,40,41)(H,42,43);(H,6,7)