3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)pyridin-3-yl]ethenyl]-4-oxidanyl-oxan-2-one

Systemtic Name: 3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)pyridin-3-yl]ethenyl]-4-oxidanyl-oxan-2-one Openeye Name: 3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)-3-pyridyl]vinyl]-4-hydroxy-tetrahydropyran-2-one CAS Name: 3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)-3-pyridinyl]ethenyl]-4-hydroxy-2-oxanone IUPAC Name: 3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)pyridin-3-yl]ethenyl]-4-hydroxyoxan-2-one Traditional Name: 3-[(E)-2-[2,6-ditert-butyl-4-(4-fluorophenyl)-3-pyridyl]vinyl]-4-hydroxy-tetrahydropyran-2-one Formula: C26H32FNO3 MolecularWeight: 425.535583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=C(C=C2)F)C=CC3C(CCOC3=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=C(C=C2)F)/C=C/C3C(CCOC3=O)O)C(C)(C)C

InChI

InChI=1S/C26H32FNO3/c1-25(2,3)22-15-20(16-7-9-17(27)10-8-16)18(23(28-22)26(4,5)6)11-12-19-21(29)13-14-31-24(19)30/h7-12,15,19,21,29H,13-14H2,1-6H3/b12-11+