(E)-3-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide

Systemtic Name: (E)-3-[3-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]-4-methoxy-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide Openeye Name: (E)-3-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-2-cyano-N-cyclopropyl-prop-2-enamide CAS Name: (E)-3-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2-cyano-N-cyclopropyl-2-propenamide IUPAC Name: (E)-3-[3-[(3-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]-2-cyano-N-cyclopropylprop-2-enamide Traditional Name: (E)-3-[3-[(3-chloro-4-fluoro-phenoxy)methyl]-4-methoxy-phenyl]-2-cyano-N-cyclopropyl-acrylamide Formula: C21H18ClFN2O3 MolecularWeight: 400.830623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CC2)COC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CC2)COC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H18ClFN2O3/c1-27-20-7-2-13(8-14(11-24)21(26)25-16-3-4-16)9-15(20)12-28-17-5-6-19(23)18(22)10-17/h2,5-10,16H,3-4,12H2,1H3,(H,25,26)/b14-8+