(E)-3-[4-[(3-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-propyl-prop-2-enamide

Systemtic Name: (E)-3-[4-[(3-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-propyl-prop-2-enamide Openeye Name: (E)-3-[4-[(3-bromophenyl)methoxy]-3-ethoxy-phenyl]-2-cyano-N-propyl-prop-2-enamide CAS Name: (E)-3-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-propyl-2-propenamide IUPAC Name: (E)-3-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyano-N-propylprop-2-enamide Traditional Name: (E)-3-[4-(3-bromobenzyl)oxy-3-ethoxy-phenyl]-2-cyano-N-propyl-acrylamide Formula: C22H23BrN2O3 MolecularWeight: 443.33362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)/C(=C/C1=CC(=C(C=C1)OCC2=CC(=CC=C2)Br)OCC)/C#N

InChI

InChI=1S/C22H23BrN2O3/c1-3-10-25-22(26)18(14-24)11-16-8-9-20(21(13-16)27-4-2)28-15-17-6-5-7-19(23)12-17/h5-9,11-13H,3-4,10,15H2,1-2H3,(H,25,26)/b18-11+