(phenylmethyl) (2S)-1-(2-piperazin-1-ylpyridin-3-yl)carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-(2-piperazin-1-ylpyridin-3-yl)carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-piperazin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[2-(1-piperazinyl)-3-pyridinyl]methyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-piperazin-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-piperazinonicotinoyl)pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=C(N=CC=C2)N3CCNCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=C(N=CC=C2)N3CCNCC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O3/c27-21(18-8-4-10-24-20(18)25-14-11-23-12-15-25)26-13-5-9-19(26)22(28)29-16-17-6-2-1-3-7-17/h1-4,6-8,10,19,23H,5,9,11-16H2/t19-/m0/s1