3-[[2-[[5,7-bis(chloranyl)quinolin-2-yl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[[5,7-bis(chloranyl)quinolin-2-yl]methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Openeye Name: 3-[[2-[(5,7-dichloro-2-quinolyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid CAS Name: 3-[[2-[(5,7-dichloro-2-quinolinyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propanoic acid IUPAC Name: 3-[[2-[(5,7-dichloroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[(5,7-dichloro-2-quinolyl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]thio]propionic acid Formula: C27H21Cl2NO4S MolecularWeight: 526.43094

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=CC(=C5C=C4)Cl)Cl)SCCC(=O)O

Isomeric SMILES

C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)OCC4=NC5=CC(=CC(=C5C=C4)Cl)Cl)SCCC(=O)O

InChI

InChI=1S/C27H21Cl2NO4S/c28-17-11-23(29)21-7-5-18(30-24(21)12-17)15-33-19-6-8-25-22(13-19)27(35-10-9-26(31)32)20-4-2-1-3-16(20)14-34-25/h1-8,11-13,27H,9-10,14-15H2,(H,31,32)