dimethyl (4S)-6-azanyl-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylate

Systemtic Name: dimethyl (4S)-6-azanyl-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylate Openeye Name: dimethyl (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylate CAS Name: (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylate Traditional Name: (4S)-6-amino-5-cyano-4-(4-fluorophenyl)-1-phenyl-4H-pyridine-2,3-dicarboxylic acid dimethyl ester Formula: C22H18FN3O4 MolecularWeight: 407.394423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)F)C#N)N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C(=C([C@@H]1C2=CC=C(C=C2)F)C#N)N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H18FN3O4/c1-29-21(27)18-17(13-8-10-14(23)11-9-13)16(12-24)20(25)26(19(18)22(28)30-2)15-6-4-3-5-7-15/h3-11,17H,25H2,1-2H3/t17-/m0/s1