[(E)-2-(4-fluoranylphenoxy)-4,4-dimethyl-1-pyridin-3-yl-pent-1-en-3-yl] 3-methylbutanoate

Systemtic Name: [(E)-2-(4-fluoranylphenoxy)-4,4-dimethyl-1-pyridin-3-yl-pent-1-en-3-yl] 3-methylbutanoate Openeye Name: [(E)-1-tert-butyl-2-(4-fluorophenoxy)-3-(3-pyridyl)allyl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [(E)-2-(4-fluorophenoxy)-4,4-dimethyl-1-(3-pyridinyl)pent-1-en-3-yl] ester IUPAC Name: [(E)-2-(4-fluorophenoxy)-4,4-dimethyl-1-pyridin-3-ylpent-1-en-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [(E)-1-tert-butyl-2-(4-fluorophenoxy)-3-(3-pyridyl)allyl] ester Formula: C23H28FNO3 MolecularWeight: 385.471723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(C(=CC1=CN=CC=C1)OC2=CC=C(C=C2)F)C(C)(C)C

Isomeric SMILES

CC(C)CC(=O)OC(/C(=C\C1=CN=CC=C1)/OC2=CC=C(C=C2)F)C(C)(C)C

InChI

InChI=1S/C23H28FNO3/c1-16(2)13-21(26)28-22(23(3,4)5)20(14-17-7-6-12-25-15-17)27-19-10-8-18(24)9-11-19/h6-12,14-16,22H,13H2,1-5H3/b20-14+