octan-3-yl (2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienoate

Systemtic Name: octan-3-yl (2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienoate Openeye Name: 1-ethylhexyl (2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienoate CAS Name: (2Z,4E)-2-cyano-5-phenylpenta-2,4-dienoic acid octan-3-yl ester IUPAC Name: octan-3-yl (2Z,4E)-2-cyano-5-phenylpenta-2,4-dienoate Traditional Name: (2Z,4E)-2-cyano-5-phenyl-penta-2,4-dienoic acid 1-ethylhexyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C(=CC=CC1=CC=CC=C1)C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO2/c1-3-5-7-15-19(4-2)23-20(22)18(16-21)14-10-13-17-11-8-6-9-12-17/h6,8-14,19H,3-5,7,15H2,1-2H3/b13-10+,18-14-