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

Systemtic Name: 3,3-dimethylbutyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester Formula: C22H26ClFN2O3 MolecularWeight: 420.904843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)COC)C(=O)OCCC(C)(C)C)C2=C(C=C(C=C2)F)Cl)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)COC)C(=O)OCCC(C)(C)C)C2=C(C=C(C=C2)F)Cl)C#N

InChI

InChI=1S/C22H26ClFN2O3/c1-13-16(11-25)19(15-7-6-14(24)10-17(15)23)20(18(26-13)12-28-5)21(27)29-9-8-22(2,3)4/h6-7,10,19,26H,8-9,12H2,1-5H3