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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H21NO3/c1-15(2)14-25-20-12-16(9-10-19(20)24-3)11-18(13-22)21(23)17-7-5-4-6-8-17/h4-12,15H,14H2,1-3H3/b18-11+