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

Systemtic Name: 3,3-dimethylbutyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-bromo-4-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 4-(2-bromo-4-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid 3,3-dimethylbutyl ester Formula: C21H24BrFN2O2 MolecularWeight: 435.329863

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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)Br)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrFN2O2/c1-12-16(11-24)19(15-7-6-14(23)10-17(15)22)18(13(2)25-12)20(26)27-9-8-21(3,4)5/h6-7,10,19,25H,8-9H2,1-5H3