(E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-4-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-4-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-4-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-4-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-4-methoxy-phenyl]acrylate Formula: C26H27O4- MolecularWeight: 403.49018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)[O-])C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)[O-])C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O4/c1-30-24-6-2-16(3-7-25(28)29)11-21(24)20-4-5-23(27)22(12-20)26-13-17-8-18(14-26)10-19(9-17)15-26/h2-7,11-12,17-19,27H,8-10,13-15H2,1H3,(H,28,29)/p-1/b7-3+