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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)C=C(C#N)C(=O)NC3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)F)Cl)/C=C(\C#N)/C(=O)NC3CCCCCC3

InChI

InChI=1S/C25H26ClFN2O3/c1-31-23-10-6-7-17(24(23)32-16-18-11-12-20(27)14-22(18)26)13-19(15-28)25(30)29-21-8-4-2-3-5-9-21/h6-7,10-14,21H,2-5,8-9,16H2,1H3,(H,29,30)/b19-13+