[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H20O7 MolecularWeight: 372.3686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C20H20O7/c1-23-15-8-14(9-16(11-15)24-2)20(22)27-12-17(21)13-4-5-18-19(10-13)26-7-3-6-25-18/h4-5,8-11H,3,6-7,12H2,1-2H3