(Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile

Systemtic Name: (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile Openeye Name: (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-[5-(trifluoromethyl)-2-pyridyl]prop-2-enenitrile CAS Name: (Z)-3-(4-butoxy-3-ethoxyphenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-butoxy-3-ethoxyphenyl)-2-[5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile Traditional Name: (Z)-3-(4-butoxy-3-ethoxy-phenyl)-2-[5-(trifluoromethyl)-2-pyridyl]acrylonitrile Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC=C(C=C2)C(F)(F)F)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC=C(C=C2)C(F)(F)F)OCC

InChI

InChI=1S/C21H21F3N2O2/c1-3-5-10-28-19-9-6-15(12-20(19)27-4-2)11-16(13-25)18-8-7-17(14-26-18)21(22,23)24/h6-9,11-12,14H,3-5,10H2,1-2H3/b16-11+