3-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-(2-bromanyl-5-ethoxy-4-propoxy-phenyl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: 3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-(2-bromo-5-ethoxy-4-propoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-(2-bromo-5-ethoxy-4-propoxy-phenyl)-2-cyano-acrylamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C(=C1)Br)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC

InChI

InChI=1S/C22H23BrN2O3/c1-3-10-28-21-13-19(23)17(12-20(21)27-4-2)11-18(14-24)22(26)25-15-16-8-6-5-7-9-16/h5-9,11-13H,3-4,10,15H2,1-2H3,(H,25,26)