2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-6-fluoranyl-7-methyl-quinolin-4-yl]oxy-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-6-fluoranyl-7-methyl-quinolin-4-yl]oxy-2-phenyl-ethanoic acid Openeye Name: 2-[[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]carbamoyl]-6-fluoro-7-methyl-4-quinolyl]oxy]-2-phenyl-acetic acid CAS Name: 2-[[2-[[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]amino]-oxomethyl]-6-fluoro-7-methyl-4-quinolinyl]oxy]-2-phenylacetic acid IUPAC Name: 2-[2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]carbamoyl]-6-fluoro-7-methylquinolin-4-yl]oxy-2-phenylacetic acid Traditional Name: 2-[[2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]carbamoyl]-6-fluoro-7-methyl-4-quinolyl]oxy]-2-phenyl-acetic acid Formula: C28H29FN4O7 MolecularWeight: 552.550863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O7/c1-3-39-28(38)33-11-9-32(10-12-33)24(34)16-30-26(35)22-15-23(19-14-20(29)17(2)13-21(19)31-22)40-25(27(36)37)18-7-5-4-6-8-18/h4-8,13-15,25H,3,9-12,16H2,1-2H3,(H,30,35)(H,36,37)