(Z)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-N-butyl-2-cyano-prop-2-enamide

Systemtic Name: (Z)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-N-butyl-2-cyano-prop-2-enamide Openeye Name: (Z)-3-(2-benzyloxy-5-bromo-phenyl)-N-butyl-2-cyano-prop-2-enamide CAS Name: (Z)-3-(5-bromo-2-phenylmethoxyphenyl)-N-butyl-2-cyano-2-propenamide IUPAC Name: (Z)-3-(5-bromo-2-phenylmethoxyphenyl)-N-butyl-2-cyanoprop-2-enamide Traditional Name: (Z)-3-(2-benzoxy-5-bromo-phenyl)-N-butyl-2-cyano-acrylamide Formula: C21H21BrN2O2 MolecularWeight: 413.30764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCNC(=O)/C(=C\C1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C21H21BrN2O2/c1-2-3-11-24-21(25)18(14-23)12-17-13-19(22)9-10-20(17)26-15-16-7-5-4-6-8-16/h4-10,12-13H,2-3,11,15H2,1H3,(H,24,25)/b18-12-