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

Systemtic Name: methyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-(methoxymethyl)-6-phenethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-phenethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-phenethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(methoxymethyl)-6-phenethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(methoxymethyl)-6-phenethyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C24H22ClFN2O3 MolecularWeight: 440.894483

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C(C(=C(N1)CCC2=CC=CC=C2)C#N)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Isomeric SMILES

COCC1=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/C24H22ClFN2O3/c1-30-14-21-23(24(29)31-2)22(17-10-9-16(26)12-19(17)25)18(13-27)20(28-21)11-8-15-6-4-3-5-7-15/h3-7,9-10,12,22,28H,8,11,14H2,1-2H3