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

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2C)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2C)OC

InChI

InChI=1S/C22H23NO3/c1-4-5-12-26-21-14-17(10-11-20(21)25-3)13-18(15-23)22(24)19-9-7-6-8-16(19)2/h6-11,13-14H,4-5,12H2,1-3H3/b18-13+