3-[[9-[[6,7-bis(fluoranyl)quinolin-2-yl]methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[9-[[6,7-bis(fluoranyl)quinolin-2-yl]methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]sulfanyl]propanoic acid Openeye Name: 3-[[9-[(6,7-difluoro-2-quinolyl)methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]sulfanyl]propanoic acid CAS Name: 3-[[9-[(6,7-difluoro-2-quinolinyl)methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]thio]propanoic acid IUPAC Name: 3-[[9-[(6,7-difluoroquinolin-2-yl)methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]sulfanyl]propanoic acid Traditional Name: 3-[[9-[(6,7-difluoro-2-quinolyl)methoxy]-5-methyl-6,11-dihydropyrido[2,3-c][2]benzazepin-11-yl]thio]propionic acid Formula: C27H23F2N3O3S MolecularWeight: 507.551626

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=C(C=C2)OCC3=NC4=CC(=C(C=C4C=C3)F)F)C(C5=C1N=CC=C5)SCCC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)OCC3=NC4=CC(=C(C=C4C=C3)F)F)C(C5=C1N=CC=C5)SCCC(=O)O

InChI

InChI=1S/C27H23F2N3O3S/c1-32-14-17-5-7-19(35-15-18-6-4-16-11-22(28)23(29)13-24(16)31-18)12-21(17)26(36-10-8-25(33)34)20-3-2-9-30-27(20)32/h2-7,9,11-13,26H,8,10,14-15H2,1H3,(H,33,34)