(E)-2-(4-tert-butylphenyl)carbonyl-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-tert-butylphenyl)carbonyl-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-tert-butylbenzoyl)-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(4-tert-butylphenyl)-oxomethyl]-3-(3-ethoxy-4-hydroxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-tert-butylbenzoyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-tert-butylbenzoyl)-3-(3-ethoxy-4-hydroxy-phenyl)acrylonitrile Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-5-26-20-13-15(6-11-19(20)24)12-17(14-23)21(25)16-7-9-18(10-8-16)22(2,3)4/h6-13,24H,5H2,1-4H3/b17-12+