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

Systemtic Name: methyl 3-[[5-oxidanyl-7-(quinolin-2-ylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoate Openeye Name: methyl 3-[[5-hydroxy-7-(2-quinolylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoate CAS Name: 3-[[5-hydroxy-7-(2-quinolinylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-hydroxy-7-(quinolin-2-ylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoate Traditional Name: 3-[[5-hydroxy-7-(2-quinolylmethoxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid methyl ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2O)C=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H25NO6/c1-32-28(31)19-6-4-7-22(15-19)35-26-13-14-33-25-12-11-21(16-23(25)27(26)30)34-17-20-10-9-18-5-2-3-8-24(18)29-20/h2-12,15-16,26-27,30H,13-14,17H2,1H3