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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-N-(4-butylphenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-(4-butylphenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(4-butylphenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-N-(4-butylphenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-N-(4-butylphenyl)-2-cyano-acrylamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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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)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3/c1-3-4-5-14-6-8-17(9-7-14)24-21(26)16(13-23)10-15-11-18(22)20(25)19(12-15)27-2/h6-12,25H,3-5H2,1-2H3,(H,24,26)/b16-10+