ethyl (4S)-6-azanyl-5-cyano-4-(2-methylpropyl)-2-phenyl-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-4-(2-methylpropyl)-2-phenyl-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-4-isobutyl-2-phenyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-4-(2-methylpropyl)-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-4-(2-methylpropyl)-2-phenyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-4-isobutyl-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1CC(C)C)C#N)N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-4-23-19(22)16-14(10-12(2)3)15(11-20)18(21)24-17(16)13-8-6-5-7-9-13/h5-9,12,14H,4,10,21H2,1-3H3/t14-/m0/s1