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

Systemtic Name: 3,3-dimethylbutyl 4-(2-bromanyl-4-fluoranyl-phenyl)-5-cyano-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester IUPAC Name: 3,3-dimethylbutyl 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 3,3-dimethylbutyl ester Formula: C23H28BrFN2O2 MolecularWeight: 463.383023

Click to see the large picture

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)OCCC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrFN2O2/c1-6-7-19-21(22(28)29-11-10-23(3,4)5)20(17(13-26)14(2)27-19)16-9-8-15(25)12-18(16)24/h8-9,12,20,27H,6-7,10-11H2,1-5H3