2-[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(4-butoxy-3-ethoxyphenyl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(4-butoxy-3-ethoxy-phenyl)acryloyl]phenoxy]acetonitrile Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-3-5-15-28-22-13-7-18(17-23(22)26-4-2)6-12-21(25)19-8-10-20(11-9-19)27-16-14-24/h6-13,17H,3-5,15-16H2,1-2H3/b12-6+