4-[3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[3-(4-isopentyloxyphenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[3-[4-(3-methylbutoxy)phenyl]-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[3-[4-(3-methylbutoxy)phenyl]prop-2-enoyl]benzonitrile Traditional Name: 4-[3-(4-isoamoxyphenyl)acryloyl]benzonitrile Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO2/c1-16(2)13-14-24-20-10-5-17(6-11-20)7-12-21(23)19-8-3-18(15-22)4-9-19/h3-12,16H,13-14H2,1-2H3