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

Systemtic Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-(2-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-(2-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-methoxy-3-propoxyphenyl)-2-[(2-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxy-3-propoxyphenyl)-2-(2-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-methoxy-3-propoxy-phenyl)-2-o-toluoyl-acrylonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2C)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2C)OC

InChI

InChI=1S/C21H21NO3/c1-4-11-25-20-13-16(9-10-19(20)24-3)12-17(14-22)21(23)18-8-6-5-7-15(18)2/h5-10,12-13H,4,11H2,1-3H3/b17-12+