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

Systemtic Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-phenyl-pent-2-enoic acid Openeye Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-phenyl-pent-2-enoic acid CAS Name: (E)-5-[4-(1-adamantyl)-3-methoxyphenyl]-2-phenyl-2-pentenoic acid IUPAC Name: (E)-5-[4-(1-adamantyl)-3-methoxyphenyl]-2-phenylpent-2-enoic acid Traditional Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-phenyl-pent-2-enoic acid Formula: C28H32O3 MolecularWeight: 416.55188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCC=C(C2=CC=CC=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=CC(=C1)CC/C=C(\C2=CC=CC=C2)/C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32O3/c1-31-26-15-19(6-5-9-24(27(29)30)23-7-3-2-4-8-23)10-11-25(26)28-16-20-12-21(17-28)14-22(13-20)18-28/h2-4,7-11,15,20-22H,5-6,12-14,16-18H2,1H3,(H,29,30)/b24-9+