methyl (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-fluoranyl-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-2-fluoranyl-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-fluoro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-2-fluorophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-2-fluorophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-2-fluoro-phenyl]acrylic acid methyl ester Formula: C26H27FO3 MolecularWeight: 406.489183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

COC(=O)/C=C/C1=C(C=C(C=C1)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C26H27FO3/c1-30-25(29)7-5-19-2-3-21(12-23(19)27)20-4-6-24(28)22(11-20)26-13-16-8-17(14-26)10-18(9-16)15-26/h2-7,11-12,16-18,28H,8-10,13-15H2,1H3/b7-5+