ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-6-(furan-2-yl)-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-6-(furan-2-yl)-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 4-(2-chloro-4-fluoro-phenyl)-5-cyano-6-(2-furyl)-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-6-(2-furanyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-4-fluorophenyl)-5-cyano-6-(furan-2-yl)-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyano-6-(2-furyl)-2-propyl-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H20ClFN2O3 MolecularWeight: 414.857203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C2=CC=CO2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C2=CC=CO2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OCC

InChI

InChI=1S/C22H20ClFN2O3/c1-3-6-17-20(22(27)28-4-2)19(14-9-8-13(24)11-16(14)23)15(12-25)21(26-17)18-7-5-10-29-18/h5,7-11,19,26H,3-4,6H2,1-2H3