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

Systemtic Name: (E)-3-[4-[3-(1-adamantyl)-5-(hydroxymethyl)-4-methoxy-phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[3-(1-adamantyl)-5-(hydroxymethyl)-4-methoxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[3-(1-adamantyl)-5-(hydroxymethyl)-4-methoxyphenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[3-(1-adamantyl)-5-(hydroxymethyl)-4-methoxyphenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-methoxy-5-methylol-phenyl]phenyl]acrylic acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CO)C2=CC=C(C=C2)C=CC(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1CO)C2=CC=C(C=C2)/C=C/C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H30O4/c1-31-26-23(16-28)11-22(21-5-2-17(3-6-21)4-7-25(29)30)12-24(26)27-13-18-8-19(14-27)10-20(9-18)15-27/h2-7,11-12,18-20,28H,8-10,13-16H2,1H3,(H,29,30)/b7-4+