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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

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