(E)-3-[4-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxy-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinolin-3-yl)carbonyloxy-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carbonyl)oxy-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[[1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinyl]-oxomethoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carbonyl)oxy-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carbonyl)oxy-3-methoxy-phenyl]acrylic acid Formula: C27H26FN3O6 MolecularWeight: 507.510243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)O)OC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCNCC4)C5CC5

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)O)OC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CCNCC4)C5CC5

InChI

InChI=1S/C27H26FN3O6/c1-36-24-12-16(3-7-25(32)33)2-6-23(24)37-27(35)19-15-31(17-4-5-17)21-14-22(30-10-8-29-9-11-30)20(28)13-18(21)26(19)34/h2-3,6-7,12-15,17,29H,4-5,8-11H2,1H3,(H,32,33)/b7-3+