(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-(2-methylphenyl)carbonyl-prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C(=CC2=CC(=C(C=C2)OC)OCC(C)C)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)/C(=C/C2=CC(=C(C=C2)OC)OCC(C)C)/C#N

InChI

InChI=1S/C22H23NO3/c1-15(2)14-26-21-12-17(9-10-20(21)25-4)11-18(13-23)22(24)19-8-6-5-7-16(19)3/h5-12,15H,14H2,1-4H3/b18-11+