(E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-chloranyl-2-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-chloranyl-2-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-chloro-2-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloro-2-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxyphenyl]-5-chloro-2-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-chloro-2-methoxy-phenyl]acrylate Formula: C26H26ClO4- MolecularWeight: 437.93524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)C=CC(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)Cl)/C=C/C(=O)[O-]

InChI

InChI=1S/C26H27ClO4/c1-31-25-19(3-5-24(29)30)9-20(27)11-21(25)18-2-4-23(28)22(10-18)26-12-15-6-16(13-26)8-17(7-15)14-26/h2-5,9-11,15-17,28H,6-8,12-14H2,1H3,(H,29,30)/p-1/b5-3+