4-chloranyl-N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-fluoranyl-5-methoxy-benzamide

Systemtic Name: 4-chloranyl-N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-fluoranyl-5-methoxy-benzamide Openeye Name: 4-chloro-N-[(1E)-1-[cyano(o-tolyl)methylene]-2,2-dimethyl-propyl]-2-fluoro-5-methoxy-benzamide CAS Name: 4-chloro-N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-fluoro-5-methoxybenzamide IUPAC Name: 4-chloro-N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-2-fluoro-5-methoxybenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(o-tolyl)vinyl]-4-chloro-2-fluoro-5-methoxy-benzamide Formula: C22H22ClFN2O2 MolecularWeight: 400.873683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C(C)(C)C)NC(=O)C2=CC(=C(C=C2F)Cl)OC)C#N

Isomeric SMILES

CC1=CC=CC=C1/C(=C(/C(C)(C)C)\NC(=O)C2=CC(=C(C=C2F)Cl)OC)/C#N

InChI

InChI=1S/C22H22ClFN2O2/c1-13-8-6-7-9-14(13)16(12-25)20(22(2,3)4)26-21(27)15-10-19(28-5)17(23)11-18(15)24/h6-11H,1-5H3,(H,26,27)/b20-16-