3-[(5-oxidanyl-7-quinolin-2-yloxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)oxy]benzoic acid

Systemtic Name: 3-[(5-oxidanyl-7-quinolin-2-yloxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)oxy]benzoic acid Openeye Name: 3-[[5-hydroxy-7-(2-quinolyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid CAS Name: 3-[[5-hydroxy-7-(2-quinolinyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid IUPAC Name: 3-[(5-hydroxy-7-quinolin-2-yloxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)oxy]benzoic acid Traditional Name: 3-[[5-hydroxy-7-(2-quinolyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)OC3=NC4=CC=CC=C4C=C3)C(C1OC5=CC=CC(=C5)C(=O)O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)OC3=NC4=CC=CC=C4C=C3)C(C1OC5=CC=CC(=C5)C(=O)O)O

InChI

InChI=1S/C26H21NO6/c28-25-20-15-19(33-24-11-8-16-4-1-2-7-21(16)27-24)9-10-22(20)31-13-12-23(25)32-18-6-3-5-17(14-18)26(29)30/h1-11,14-15,23,25,28H,12-13H2,(H,29,30)