(E)-3-(3-butoxy-4-methoxy-phenyl)-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2F)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)OC

InChI

InChI=1S/C21H20FNO3/c1-3-4-11-26-20-13-15(9-10-19(20)25-2)12-16(14-23)21(24)17-7-5-6-8-18(17)22/h5-10,12-13H,3-4,11H2,1-2H3/b16-12+