1,3-benzodioxol-5-yl (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl (E)-3-(4-butoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-methoxyphenyl)-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-methoxy-phenyl)acrylic acid 1,3-benzodioxol-5-yl ester Formula: C21H22O6 MolecularWeight: 370.39578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H22O6/c1-3-4-11-24-17-8-5-15(12-19(17)23-2)6-10-21(22)27-16-7-9-18-20(13-16)26-14-25-18/h5-10,12-13H,3-4,11,14H2,1-2H3/b10-6+