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

Systemtic Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-oxidanyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-hydroxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]-4-hydroxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]-4-hydroxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-hydroxy-phenyl]acrylic acid Formula: C27H30O4 MolecularWeight: 418.5247

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C=CC(=C2)C=CC(=O)O)O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C=CC(=C2)/C=C/C(=O)O)O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C27H30O4/c1-16-7-25(31-2)23(27-13-18-8-19(14-27)10-20(9-18)15-27)12-21(16)22-11-17(3-5-24(22)28)4-6-26(29)30/h3-7,11-12,18-20,28H,8-10,13-15H2,1-2H3,(H,29,30)/b6-4+