methyl (2S,4Z)-4-methoxyimino-1-(4-pyrimidin-5-ylphenyl)carbonyl-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4Z)-4-methoxyimino-1-(4-pyrimidin-5-ylphenyl)carbonyl-pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4Z)-4-methoxyimino-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4Z)-4-methoxyimino-1-[oxo-[4-(5-pyrimidinyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4Z)-4-methoxyimino-1-(4-pyrimidin-5-ylbenzoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4Z)-4-methyloximino-1-[4-(5-pyrimidyl)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(=NOC)CN1C(=O)C2=CC=C(C=C2)C3=CN=CN=C3

Isomeric SMILES

COC(=O)[C@@H]1C/C(=N/OC)/CN1C(=O)C2=CC=C(C=C2)C3=CN=CN=C3

InChI

InChI=1S/C18H18N4O4/c1-25-18(24)16-7-15(21-26-2)10-22(16)17(23)13-5-3-12(4-6-13)14-8-19-11-20-9-14/h3-6,8-9,11,16H,7,10H2,1-2H3/b21-15-/t16-/m0/s1