(E)-3-(4-heptoxyphenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-heptoxyphenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(4-heptoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-(4-heptoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(4-heptoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(4-heptoxyphenyl)acrylonitrile Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H25NO2/c1-2-3-4-5-9-16-26-22-14-12-19(13-15-22)17-21(18-24)23(25)20-10-7-6-8-11-20/h6-8,10-15,17H,2-5,9,16H2,1H3/b21-17+