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

Systemtic Name: methyl 3-[(5-oxidanyl-7-quinolin-2-yloxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)oxy]benzoate Openeye Name: methyl 3-[[5-hydroxy-7-(2-quinolyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoate CAS Name: 3-[[5-hydroxy-7-(2-quinolinyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-hydroxy-7-quinolin-2-yloxy-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)oxy]benzoate Traditional Name: 3-[[5-hydroxy-7-(2-quinolyloxy)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]oxy]benzoic acid methyl ester Formula: C27H23NO6 MolecularWeight: 457.47462

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2O)C=C(C=C3)OC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2O)C=C(C=C3)OC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H23NO6/c1-31-27(30)18-6-4-7-19(15-18)33-24-13-14-32-23-11-10-20(16-21(23)26(24)29)34-25-12-9-17-5-2-3-8-22(17)28-25/h2-12,15-16,24,26,29H,13-14H2,1H3