(E)-3-[4-[3-(1-adamantyl)-5-methoxy-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-5-methoxy-4-oxidanyl-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-5-methoxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-5-methoxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-5-methoxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-5-methoxy-phenyl]phenyl]acrylic acid Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C=CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)/C=C/C(=O)O

InChI

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