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

Systemtic Name: (E)-5-(1-adamantyl)-2-(3-bromophenyl)-3-(4-methoxyphenyl)pent-2-enoate Openeye Name: (E)-5-(1-adamantyl)-2-(3-bromophenyl)-3-(4-methoxyphenyl)pent-2-enoate CAS Name: (E)-5-(1-adamantyl)-2-(3-bromophenyl)-3-(4-methoxyphenyl)-2-pentenoate IUPAC Name: (E)-5-(1-adamantyl)-2-(3-bromophenyl)-3-(4-methoxyphenyl)pent-2-enoate Traditional Name: (E)-5-(1-adamantyl)-2-(3-bromophenyl)-3-(4-methoxyphenyl)pent-2-enoate Formula: C28H30BrO3- MolecularWeight: 494.44

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrO3/c1-32-24-7-5-21(6-8-24)25(26(27(30)31)22-3-2-4-23(29)14-22)9-10-28-15-18-11-19(16-28)13-20(12-18)17-28/h2-8,14,18-20H,9-13,15-17H2,1H3,(H,30,31)/p-1/b26-25+