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

Systemtic Name: methyl 4-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]oxymethyl]benzoate CAS Name: 4-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-oxoprop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]oxymethyl]benzoate Traditional Name: 4-[[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acryloyl]oxymethyl]benzoic acid methyl ester Formula: C21H20O6 MolecularWeight: 368.3799

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

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

InChI

InChI=1S/C21H20O6/c1-24-21(23)17-7-3-16(4-8-17)14-27-20(22)10-6-15-5-9-18-19(13-15)26-12-2-11-25-18/h3-10,13H,2,11-12,14H2,1H3/b10-6+