(3-methylphenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: (3-methylphenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: m-tolylmethyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-propenoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acrylic acid (3-methylbenzyl) ester Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC(=O)C=CC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)COC(=O)/C=C/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20O4/c1-15-4-2-5-17(12-15)14-24-20(21)9-7-16-6-8-18-19(13-16)23-11-3-10-22-18/h2,4-9,12-13H,3,10-11,14H2,1H3/b9-7+