methyl 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H18O5 MolecularWeight: 338.35392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H18O5/c1-23-20(22)15-6-3-14(4-7-15)5-9-17(21)16-8-10-18-19(13-16)25-12-2-11-24-18/h3-10,13H,2,11-12H2,1H3/b9-5+