(E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(4-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-ethoxy-2-propoxyphenyl)-2-[(4-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-ethoxy-2-propoxyphenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-2-propoxy-phenyl)-2-(4-fluorobenzoyl)acrylonitrile Formula: C21H20FNO3 MolecularWeight: 353.386803

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=C(C#N)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C(\C#N)/C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20FNO3/c1-3-12-26-21-16(6-5-7-19(21)25-4-2)13-17(14-23)20(24)15-8-10-18(22)11-9-15/h5-11,13H,3-4,12H2,1-2H3/b17-13+