[(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: [(E)-cinnamyl] (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 [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (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 [(E)-cinnamyl] ester Formula: C21H20O4 MolecularWeight: 336.3811

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C=CC(=O)OCC=CC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)/C=C/C(=O)OC/C=C/C3=CC=CC=C3)OC1

InChI

InChI=1S/C21H20O4/c22-21(25-13-4-8-17-6-2-1-3-7-17)12-10-18-9-11-19-20(16-18)24-15-5-14-23-19/h1-4,6-12,16H,5,13-15H2/b8-4+,12-10+