(E)-3-(4-butoxyphenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-(3-methoxyphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-butoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-butoxyphenyl)-2-[(3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-butoxyphenyl)-2-(3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-butoxyphenyl)-2-m-anisoyl-acrylonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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