methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-methyl-6-phenethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C23H20ClFN2O2 MolecularWeight: 410.868503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)CCC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C23H20ClFN2O2/c1-14-21(23(28)29-2)22(17-10-9-16(25)12-19(17)24)18(13-26)20(27-14)11-8-15-6-4-3-5-7-15/h3-7,9-10,12,22,27H,8,11H2,1-2H3