3-[[2-[(7-chloranylquinolin-2-yl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[(7-chloranylquinolin-2-yl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Openeye Name: 3-[[2-[(7-chloro-2-quinolyl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid CAS Name: 3-[[2-[(7-chloro-2-quinolinyl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propanoic acid IUPAC Name: 3-[[2-[(7-chloroquinolin-2-yl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[(7-chloro-2-quinolyl)methoxy]-8-methoxy-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propionic acid Formula: C28H24ClNO5S MolecularWeight: 522.01186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C3=C(C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4)OC2)SCCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(C3=C(C=CC(=C3)OCC4=NC5=C(C=CC(=C5)Cl)C=C4)OC2)SCCC(=O)O

InChI

InChI=1S/C28H24ClNO5S/c1-33-21-6-8-23-18(12-21)15-35-26-9-7-22(14-24(26)28(23)36-11-10-27(31)32)34-16-20-5-3-17-2-4-19(29)13-25(17)30-20/h2-9,12-14,28H,10-11,15-16H2,1H3,(H,31,32)