2-methylbutan-2-yl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methylbutan-2-yl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 1,1-dimethylpropyl 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid tert-amyl ester Formula: C21H24ClFN2O3 MolecularWeight: 406.878263

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Cl)C#N)C)COC

Isomeric SMILES

CCC(C)(C)OC(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)F)Cl)C#N)C)COC

InChI

InChI=1S/C21H24ClFN2O3/c1-6-21(3,4)28-20(26)19-17(11-27-5)25-12(2)15(10-24)18(19)14-8-7-13(23)9-16(14)22/h7-9,18,25H,6,11H2,1-5H3