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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C=CC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)/C=C/C(=O)O

InChI

InChI=1S/C27H30O4/c1-30-24-13-22(21-6-3-17(4-7-21)5-8-25(28)29)12-23(26(24)31-2)27-14-18-9-19(15-27)11-20(10-18)16-27/h3-8,12-13,18-20H,9-11,14-16H2,1-2H3,(H,28,29)/b8-5+