5-oxidanylidene-1-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-1-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid Openeye Name: 5-oxo-1-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid CAS Name: 5-oxo-1-[2-(1-phenyl-4-pyrazolyl)ethyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 5-oxo-1-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(CN(C1=O)CCC2=CN(N=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C16H17N3O3/c20-15-8-13(16(21)22)11-18(15)7-6-12-9-17-19(10-12)14-4-2-1-3-5-14/h1-5,9-10,13H,6-8,11H2,(H,21,22)