2-[[2-[(E)-2-[6,7-bis(fluoranyl)quinolin-2-yl]ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-[(E)-2-[6,7-bis(fluoranyl)quinolin-2-yl]ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]ethanoic acid Openeye Name: 2-[[2-[(E)-2-(6,7-difluoro-2-quinolyl)vinyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]acetic acid CAS Name: 2-[[2-[(E)-2-(6,7-difluoro-2-quinolinyl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]acetic acid IUPAC Name: 2-[[2-[(E)-2-(6,7-difluoroquinolin-2-yl)ethenyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]acetic acid Traditional Name: 2-[[2-[(E)-2-(6,7-difluoro-2-quinolyl)vinyl]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]oxy]acetic acid Formula: C27H19F2NO4 MolecularWeight: 459.440866

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C=CC4=NC5=CC(=C(C=C5C=C4)F)F)OCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)/C=C/C4=NC5=CC(=C(C=C5C=C4)F)F)OCC(=O)O

InChI

InChI=1S/C27H19F2NO4/c28-22-12-17-7-9-19(30-24(17)13-23(22)29)8-5-16-6-10-25-21(11-16)27(34-15-26(31)32)20-4-2-1-3-18(20)14-33-25/h1-13,27H,14-15H2,(H,31,32)/b8-5+