(E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-N-(4-butylphenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-N-(4-butylphenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-N-(4-butylphenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-(4-butylphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-N-(4-butylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-N-(4-butylphenyl)-2-cyano-acrylamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C(=C2)Br)O)OCC)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OCC)/C#N

InChI

InChI=1S/C22H23BrN2O3/c1-3-5-6-15-7-9-18(10-8-15)25-22(27)17(14-24)11-16-12-19(23)21(26)20(13-16)28-4-2/h7-13,26H,3-6H2,1-2H3,(H,25,27)/b17-11+