(E)-3-[2-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[2-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-benzyl-3-[2-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C25H20BrFN2O3 MolecularWeight: 495.340303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)Br)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C25H20BrFN2O3/c1-31-23-12-19(11-20(14-28)25(30)29-15-17-5-3-2-4-6-17)22(26)13-24(23)32-16-18-7-9-21(27)10-8-18/h2-13H,15-16H2,1H3,(H,29,30)/b20-11+