(E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3,5-dimethoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3,5-dimethoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3,5-dimethoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3,5-dimethoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3,5-dimethoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3,5-dimethoxy-phenyl]acrylate Formula: C27H29O5- MolecularWeight: 433.51616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)OC)C=CC(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C27H30O5/c1-31-23-10-16(3-6-25(29)30)11-24(32-2)26(23)20-4-5-22(28)21(12-20)27-13-17-7-18(14-27)9-19(8-17)15-27/h3-6,10-12,17-19,28H,7-9,13-15H2,1-2H3,(H,29,30)/p-1/b6-3+