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

Systemtic Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-bromophenyl)pent-2-enoic acid Openeye Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-bromophenyl)pent-2-enoic acid CAS Name: (E)-5-[4-(1-adamantyl)-3-methoxyphenyl]-2-(3-bromophenyl)-2-pentenoic acid IUPAC Name: (E)-5-[4-(1-adamantyl)-3-methoxyphenyl]-2-(3-bromophenyl)pent-2-enoic acid Traditional Name: (E)-5-[4-(1-adamantyl)-3-methoxy-phenyl]-2-(3-bromophenyl)pent-2-enoic acid Formula: C28H31BrO3 MolecularWeight: 495.44794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrO3/c1-32-26-13-18(4-2-7-24(27(30)31)22-5-3-6-23(29)14-22)8-9-25(26)28-15-19-10-20(16-28)12-21(11-19)17-28/h3,5-9,13-14,19-21H,2,4,10-12,15-17H2,1H3,(H,30,31)/b24-7+