3-[[2-[[7-[bis(fluoranyl)methoxy]quinolin-2-yl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[[7-[bis(fluoranyl)methoxy]quinolin-2-yl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Openeye Name: 3-[[2-[[7-(difluoromethoxy)-2-quinolyl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid CAS Name: 3-[[2-[[7-(difluoromethoxy)-2-quinolinyl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propanoic acid IUPAC Name: 3-[[2-[[7-(difluoromethoxy)quinolin-2-yl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[[7-(difluoromethoxy)-2-quinolyl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propionic acid Formula: C28H23F2NO5S MolecularWeight: 523.547726

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)OC(F)F)C=C4)SCCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=C(C=CC(=C5)OC(F)F)C=C4)SCCC(=O)O

InChI

InChI=1S/C28H23F2NO5S/c29-28(30)36-21-8-6-17-5-7-19(31-24(17)14-21)16-34-20-9-10-25-23(13-20)27(37-12-11-26(32)33)22-4-2-1-3-18(22)15-35-25/h1-10,13-14,27-28H,11-12,15-16H2,(H,32,33)