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

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(3-butoxy-4-methoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(3-butoxy-4-methoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(3-butoxy-4-methoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(3-butoxy-4-methoxy-phenyl)acrylonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-4-12-25-20-14-16(10-11-19(20)24-2)13-18(15-22)21(23)17-8-6-5-7-9-17/h5-11,13-14H,3-4,12H2,1-2H3/b18-13+