(E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenyl-pent-2-enoate

Systemtic Name: (E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenyl-pent-2-enoate Openeye Name: (E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenyl-pent-2-enoate CAS Name: (E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenyl-2-pentenoate IUPAC Name: (E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenylpent-2-enoate Traditional Name: (E)-5-(1-adamantyl)-3-(4-methoxyphenyl)-2-phenyl-pent-2-enoate Formula: C28H31O3- MolecularWeight: 415.54394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C(=O)[O-])CCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/C(=O)[O-])/CCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H32O3/c1-31-24-9-7-22(8-10-24)25(26(27(29)30)23-5-3-2-4-6-23)11-12-28-16-19-13-20(17-28)15-21(14-19)18-28/h2-10,19-21H,11-18H2,1H3,(H,29,30)/p-1/b26-25+