(E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4,5-dimethoxy-phenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide Openeye Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide CAS Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]-2-propenamide IUPAC Name: (E)-3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide Traditional Name: (E)-3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]acrylamide Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(=CC2=CC(=C(C=C2Br)OC)OC)C#N

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=C(C=C2Br)OC)OC)/C#N

InChI

InChI=1S/C19H23BrN2O3/c1-12-6-4-5-7-16(12)22-19(23)14(11-21)8-13-9-17(24-2)18(25-3)10-15(13)20/h8-10,12,16H,4-7H2,1-3H3,(H,22,23)/b14-8+/t12-,16+/m1/s1