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

Systemtic Name: 3-[[5-oxidanyl-7-(quinolin-2-ylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid Openeye Name: 3-[[5-hydroxy-7-(2-quinolylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid CAS Name: 3-[[5-hydroxy-7-(2-quinolinylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid IUPAC Name: 3-[[5-hydroxy-7-(quinolin-2-ylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid Traditional Name: 3-[[5-hydroxy-7-(2-quinolylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C1OC5=CC=CC(=C5)C(=O)O)O

Isomeric SMILES

C1COC2=C(C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(C1OC5=CC=CC(=C5)C(=O)O)O

InChI

InChI=1S/C27H23NO6/c29-26-22-15-20(33-16-19-9-8-17-4-1-2-7-23(17)28-19)10-11-24(22)32-13-12-25(26)34-21-6-3-5-18(14-21)27(30)31/h1-11,14-15,25-26,29H,12-13,16H2,(H,30,31)