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

Systemtic Name: (4-methylphenyl) (E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoate Openeye Name: p-tolyl (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 (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (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 p-tolyl ester Formula: C19H18O4 MolecularWeight: 310.34382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O4/c1-14-3-7-16(8-4-14)23-19(20)10-6-15-5-9-17-18(13-15)22-12-2-11-21-17/h3-10,13H,2,11-12H2,1H3/b10-6+