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

Systemtic Name: 2-methylbutan-2-yl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 1,1-dimethylpropyl 4-(2-bromo-4-fluoro-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 4-(2-bromo-4-fluorophenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-bromo-4-fluoro-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid tert-amyl ester Formula: C22H26BrFN2O2 MolecularWeight: 449.356443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)Br)C(=O)OC(C)(C)CC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)Br)C(=O)OC(C)(C)CC

InChI

InChI=1S/C22H26BrFN2O2/c1-6-8-18-20(21(27)28-22(4,5)7-2)19(16(12-25)13(3)26-18)15-10-9-14(24)11-17(15)23/h9-11,19,26H,6-8H2,1-5H3