methyl 3-[(5-oxidanylidene-7-phenylmethoxy-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoate

Systemtic Name: methyl 3-[(5-oxidanylidene-7-phenylmethoxy-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoate Openeye Name: methyl 3-[(7-benzyloxy-5-oxo-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoate CAS Name: 3-[(5-oxo-7-phenylmethoxy-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-oxo-7-phenylmethoxy-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoate Traditional Name: 3-[(7-benzoxy-5-keto-3,4-dihydro-2H-1-benzoxepin-4-yl)oxy]benzoic acid methyl ester Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OC2CCOC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H22O6/c1-28-25(27)18-8-5-9-20(14-18)31-23-12-13-29-22-11-10-19(15-21(22)24(23)26)30-16-17-6-3-2-4-7-17/h2-11,14-15,23H,12-13,16H2,1H3