3,3-dimethylbutyl 5-cyano-4-(4-fluoranyl-2-methoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3,3-dimethylbutyl 5-cyano-4-(4-fluoranyl-2-methoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 5-cyano-4-(4-fluoro-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 3,3-dimethylbutyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN2O3/c1-13-17(12-24)20(16-8-7-15(23)11-18(16)27-6)19(14(2)25-13)21(26)28-10-9-22(3,4)5/h7-8,11,20,25H,9-10H2,1-6H3