1-[[2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-oxidanylidene-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-oxo-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[oxo-[2-oxo-3-(1-pyridin-4-yl-4-piperidinyl)-5-oxazolidinyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-oxo-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-oxazolidine-5-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-keto-3-[1-(4-pyridyl)-4-piperidyl]oxazolidine-5-carbonyl]nipecotic acid Formula: C20H26N4O5 MolecularWeight: 402.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CN(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2CN(C(=O)O2)C3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C20H26N4O5/c25-18(23-9-1-2-14(12-23)19(26)27)17-13-24(20(28)29-17)16-5-10-22(11-6-16)15-3-7-21-8-4-15/h3-4,7-8,14,16-17H,1-2,5-6,9-13H2,(H,26,27)