ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl (4S)-6-azanyl-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-amino-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-5-cyano-2-methyl-4-(3-phenoxyphenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC(=CC=C2)OC3=CC=CC=C3)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C([C@@H]1C2=CC(=CC=C2)OC3=CC=CC=C3)C#N)N)C

InChI

InChI=1S/C22H20N2O4/c1-3-26-22(25)19-14(2)27-21(24)18(13-23)20(19)15-8-7-11-17(12-15)28-16-9-5-4-6-10-16/h4-12,20H,3,24H2,1-2H3/t20-/m0/s1