2-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-butoxyphenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-butoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-butoxyphenyl)acryloyl]phenoxy]acetonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-2-3-15-24-19-9-4-17(5-10-19)6-13-21(23)18-7-11-20(12-8-18)25-16-14-22/h4-13H,2-3,15-16H2,1H3/b13-6+