methyl (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-piperidin-1-yl-3,4-dihydropyridine-5-carboxylate

Systemtic Name: methyl (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-piperidin-1-yl-3,4-dihydropyridine-5-carboxylate Openeye Name: methyl (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-(1-piperidyl)-3,4-dihydropyridine-5-carboxylate CAS Name: (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-(1-piperidinyl)-3,4-dihydropyridine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-piperidin-1-yl-3,4-dihydropyridine-5-carboxylate Traditional Name: (4S)-3-cyano-4-(4-fluorophenyl)-6-methyl-2-piperidino-3,4-dihydropyridine-5-carboxylic acid methyl ester Formula: C20H22FN3O2 MolecularWeight: 355.405983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(C(=N1)N2CCCCC2)C#N)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C(C(=N1)N2CCCCC2)C#N)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C20H22FN3O2/c1-13-17(20(25)26-2)18(14-6-8-15(21)9-7-14)16(12-22)19(23-13)24-10-4-3-5-11-24/h6-9,16,18H,3-5,10-11H2,1-2H3/t16?,18-/m1/s1