(E)-3-[2-[(3-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-3-[2-[(3-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-N-phenethyl-prop-2-enamide Openeye Name: (E)-3-[2-[(3-bromophenyl)methoxy]-3-methoxy-phenyl]-2-cyano-N-phenethyl-prop-2-enamide CAS Name: (E)-3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyano-N-phenethyl-2-propenamide IUPAC Name: (E)-3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]-2-cyano-N-phenethylprop-2-enamide Traditional Name: (E)-3-[2-(3-bromobenzyl)oxy-3-methoxy-phenyl]-2-cyano-N-phenethyl-acrylamide Formula: C26H23BrN2O3 MolecularWeight: 491.37642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC(=CC=C2)Br)C=C(C#N)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC(=CC=C2)Br)/C=C(\C#N)/C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H23BrN2O3/c1-31-24-12-6-10-21(25(24)32-18-20-9-5-11-23(27)15-20)16-22(17-28)26(30)29-14-13-19-7-3-2-4-8-19/h2-12,15-16H,13-14,18H2,1H3,(H,29,30)/b22-16+