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

Systemtic Name: cyclopentyl 4-(3-chloranyl-2-fluoranyl-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Openeye Name: cyclopentyl 4-(3-chloro-2-fluoro-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(3-chloro-2-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-(3-chloro-2-fluorophenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-chloro-2-fluoro-phenyl)-5-cyano-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid cyclopentyl ester Formula: C20H20ClFN2O2 MolecularWeight: 374.836403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCC2)C3=C(C(=CC=C3)Cl)F)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC2CCCC2)C3=C(C(=CC=C3)Cl)F)C#N

InChI

InChI=1S/C20H20ClFN2O2/c1-11-15(10-23)18(14-8-5-9-16(21)19(14)22)17(12(2)24-11)20(25)26-13-6-3-4-7-13/h5,8-9,13,18,24H,3-4,6-7H2,1-2H3