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

Systemtic Name: methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-methyl-6-(phenylmethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-benzyl-4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-2-methyl-6-(phenylmethyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-4-(2-chloro-4-fluorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-benzyl-4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C22H18ClFN2O2 MolecularWeight: 396.841923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)CC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OC

InChI

InChI=1S/C22H18ClFN2O2/c1-13-20(22(27)28-2)21(16-9-8-15(24)11-18(16)23)17(12-25)19(26-13)10-14-6-4-3-5-7-14/h3-9,11,21,26H,10H2,1-2H3