3-(5-bromanyl-2-octoxy-phenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide

Systemtic Name: 3-(5-bromanyl-2-octoxy-phenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Openeye Name: 3-(5-bromo-2-octoxy-phenyl)-2-cyano-N-(p-tolyl)prop-2-enamide CAS Name: 3-(5-bromo-2-octoxyphenyl)-2-cyano-N-(4-methylphenyl)-2-propenamide IUPAC Name: 3-(5-bromo-2-octoxyphenyl)-2-cyano-N-(4-methylphenyl)prop-2-enamide Traditional Name: 3-(5-bromo-2-octoxy-phenyl)-2-cyano-N-(p-tolyl)acrylamide Formula: C25H29BrN2O2 MolecularWeight: 469.41396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)Br)C=C(C#N)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C25H29BrN2O2/c1-3-4-5-6-7-8-15-30-24-14-11-22(26)17-20(24)16-21(18-27)25(29)28-23-12-9-19(2)10-13-23/h9-14,16-17H,3-8,15H2,1-2H3,(H,28,29)