4-[(E)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(3-butoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(3-butoxy-4-methoxyphenyl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(3-butoxy-4-methoxy-phenyl)acryloyl]benzonitrile Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-4-13-25-21-14-16(8-12-20(21)24-2)7-11-19(23)18-9-5-17(15-22)6-10-18/h5-12,14H,3-4,13H2,1-2H3/b11-7+