ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-phenylpyridin-3-yl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-phenylpyridin-3-yl)-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-phenyl-3-pyridyl)-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-5-cyano-2,6-dimethyl-4-(4-phenyl-3-pyridinyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-5-cyano-2,6-dimethyl-4-(4-phenylpyridin-3-yl)-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-5-cyano-2,6-dimethyl-4-(4-phenyl-3-pyridyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=C(C=CN=C2)C3=CC=CC=C3)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C([C@@H]1C2=C(C=CN=C2)C3=CC=CC=C3)C#N)C)C

InChI

InChI=1S/C22H21N3O2/c1-4-27-22(26)20-15(3)25-14(2)18(12-23)21(20)19-13-24-11-10-17(19)16-8-6-5-7-9-16/h5-11,13,21,25H,4H2,1-3H3/t21-/m1/s1