2-[[9-[(7-chloranyl-6-fluoranyl-quinolin-2-yl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[9-[(7-chloranyl-6-fluoranyl-quinolin-2-yl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[9-[(7-chloro-6-fluoro-2-quinolyl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[9-[(7-chloro-6-fluoro-2-quinolinyl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]thio]methyl]benzoic acid IUPAC Name: 2-[[9-[(7-chloro-6-fluoroquinolin-2-yl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[9-[(7-chloro-6-fluoro-2-quinolyl)methoxy]-5,11-dihydro-[1]benzoxepino[3,4-b]pyridin-11-yl]thio]methyl]benzoic acid Formula: C31H22ClFN2O4S MolecularWeight: 573.033783

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC=N2)C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=C(C=C5C=C4)F)Cl)SCC6=CC=CC=C6C(=O)O

Isomeric SMILES

C1C2=C(C=CC=N2)C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=C(C=C5C=C4)F)Cl)SCC6=CC=CC=C6C(=O)O

InChI

InChI=1S/C31H22ClFN2O4S/c32-25-14-27-18(12-26(25)33)7-8-20(35-27)15-38-21-9-10-29-24(13-21)30(23-6-3-11-34-28(23)16-39-29)40-17-19-4-1-2-5-22(19)31(36)37/h1-14,30H,15-17H2,(H,36,37)