(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-ethoxy-4-isobutoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-ethoxy-4-isobutoxy-phenyl)acrylonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)OCC(C)C

InChI

InChI=1S/C22H23NO3/c1-4-25-21-13-17(10-11-20(21)26-15-16(2)3)12-19(14-23)22(24)18-8-6-5-7-9-18/h5-13,16H,4,15H2,1-3H3/b19-12+