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

Systemtic Name: tert-butyl 4-(2-chloranyl-4-fluoranyl-phenyl)-5-cyano-2-(3-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(3-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(3-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-4-fluorophenyl)-5-cyano-2-(3-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-chloro-4-fluoro-phenyl)-5-cyano-2-(3-methoxypropyl)-6-methyl-1,4-dihydropyridine-3-carboxylic acid tert-butyl ester Formula: C22H26ClFN2O3 MolecularWeight: 420.904843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CCCOC)C(=O)OC(C)(C)C)C2=C(C=C(C=C2)F)Cl)C#N

Isomeric SMILES

CC1=C(C(C(=C(N1)CCCOC)C(=O)OC(C)(C)C)C2=C(C=C(C=C2)F)Cl)C#N

InChI

InChI=1S/C22H26ClFN2O3/c1-13-16(12-25)19(15-9-8-14(24)11-17(15)23)20(21(27)29-22(2,3)4)18(26-13)7-6-10-28-5/h8-9,11,19,26H,6-7,10H2,1-5H3