methyl (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[7-(1-adamantyl)-1,3-benzodioxol-5-yl]phenyl]acrylic acid methyl ester Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)C2=CC(=C3C(=C2)OCO3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)C2=CC(=C3C(=C2)OCO3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H28O4/c1-29-25(28)7-4-17-2-5-21(6-3-17)22-11-23(26-24(12-22)30-16-31-26)27-13-18-8-19(14-27)10-20(9-18)15-27/h2-7,11-12,18-20H,8-10,13-16H2,1H3/b7-4+