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

Systemtic Name: [(E)-2-(4-hexylphenoxy)-4,4-dimethyl-1-pyridin-3-yl-pent-1-en-3-yl] ethanoate Openeye Name: [(E)-1-tert-butyl-2-(4-hexylphenoxy)-3-(3-pyridyl)allyl] acetate CAS Name: acetic acid [(E)-2-(4-hexylphenoxy)-4,4-dimethyl-1-(3-pyridinyl)pent-1-en-3-yl] ester IUPAC Name: [(E)-2-(4-hexylphenoxy)-4,4-dimethyl-1-pyridin-3-ylpent-1-en-3-yl] acetate Traditional Name: acetic acid [(E)-1-tert-butyl-2-(4-hexylphenoxy)-3-(3-pyridyl)allyl] ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=CC2=CN=CC=C2)C(C(C)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)O/C(=C/C2=CN=CC=C2)/C(C(C)(C)C)OC(=O)C

InChI

InChI=1S/C26H35NO3/c1-6-7-8-9-11-21-13-15-23(16-14-21)30-24(18-22-12-10-17-27-19-22)25(26(3,4)5)29-20(2)28/h10,12-19,25H,6-9,11H2,1-5H3/b24-18+