2-methylbutan-2-yl 5-cyano-4-(4-fluoranyl-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methylbutan-2-yl 5-cyano-4-(4-fluoranyl-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Openeye Name: 1,1-dimethylpropyl 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-4-(4-fluoro-2-methoxyphenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid 2-methylbutan-2-yl ester IUPAC Name: 2-methylbutan-2-yl 5-cyano-4-(4-fluoro-2-methoxyphenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-4-(4-fluoro-2-methoxy-phenyl)-6-methyl-2-propyl-1,4-dihydropyridine-3-carboxylic acid tert-amyl ester Formula: C23H29FN2O3 MolecularWeight: 400.486363

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)OC)C(=O)OC(C)(C)CC

Isomeric SMILES

CCCC1=C(C(C(=C(N1)C)C#N)C2=C(C=C(C=C2)F)OC)C(=O)OC(C)(C)CC

InChI

InChI=1S/C23H29FN2O3/c1-7-9-18-21(22(27)29-23(4,5)8-2)20(17(13-25)14(3)26-18)16-11-10-15(24)12-19(16)28-6/h10-12,20,26H,7-9H2,1-6H3