[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(4-isopropylphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-p-cumenylacryloyl]phenyl] ester Formula: C26H22O5 MolecularWeight: 414.44988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H22O5/c1-17(2)19-6-3-18(4-7-19)5-13-23(27)20-8-11-22(12-9-20)31-26(28)21-10-14-24-25(15-21)30-16-29-24/h3-15,17H,16H2,1-2H3/b13-5+