(E)-3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-N-cycloheptyl-prop-2-enamide

Systemtic Name: (E)-3-[3-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-N-cycloheptyl-prop-2-enamide Openeye Name: (E)-3-[3-[(2-chloro-6-fluoro-phenyl)methoxy]-4-methoxy-phenyl]-2-cyano-N-cycloheptyl-prop-2-enamide CAS Name: (E)-3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-cycloheptyl-2-propenamide IUPAC Name: (E)-3-[3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyphenyl]-2-cyano-N-cycloheptylprop-2-enamide Traditional Name: (E)-3-[3-(2-chloro-6-fluoro-benzyl)oxy-4-methoxy-phenyl]-2-cyano-N-cycloheptyl-acrylamide Formula: C25H26ClFN2O3 MolecularWeight: 456.936943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2CCCCCC2)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2CCCCCC2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C25H26ClFN2O3/c1-31-23-12-11-17(14-24(23)32-16-20-21(26)9-6-10-22(20)27)13-18(15-28)25(30)29-19-7-4-2-3-5-8-19/h6,9-14,19H,2-5,7-8,16H2,1H3,(H,29,30)/b18-13+