(4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H26O4 MolecularWeight: 366.45014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=CC3=C(C=C2)OCO3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C)C(C)(C)C

InChI

InChI=1S/C23H26O4/c1-15-10-18(23(3,4)5)11-16(2)19(15)13-25-22(24)9-7-17-6-8-20-21(12-17)27-14-26-20/h6-12H,13-14H2,1-5H3/b9-7+