(E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-[(4-methylphenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-phenylmethoxy-phenyl)-2-cyano-N-[(4-methylphenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(2-benzyloxy-5-bromo-phenyl)-2-cyano-N-(p-tolylmethyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-[(4-methylphenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-phenylmethoxyphenyl)-2-cyano-N-[(4-methylphenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(2-benzoxy-5-bromo-phenyl)-2-cyano-N-(4-methylbenzyl)acrylamide Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C/C2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H21BrN2O2/c1-18-7-9-19(10-8-18)16-28-25(29)22(15-27)13-21-14-23(26)11-12-24(21)30-17-20-5-3-2-4-6-20/h2-14H,16-17H2,1H3,(H,28,29)/b22-13+