4-[2-(3-imidazol-1-ylpropyl)piperidin-1-yl]oxycarbonyl-3-(oxidanylidenemethylidene)piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(3-imidazol-1-ylpropyl)piperidin-1-yl]oxycarbonyl-3-(oxidanylidenemethylidene)piperazine-1-carboxylic acid Openeye Name: 4-[[2-(3-imidazol-1-ylpropyl)-1-piperidyl]oxycarbonyl]-3-(oxomethylene)piperazine-1-carboxylic acid CAS Name: 4-[[2-[3-(1-imidazolyl)propyl]-1-piperidinyl]oxy-oxomethyl]-3-(oxomethylidene)-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(3-imidazol-1-ylpropyl)piperidin-1-yl]oxycarbonyl-3-(oxomethylidene)piperazine-1-carboxylic acid Traditional Name: 4-[2-(3-imidazol-1-ylpropyl)piperidino]oxycarbonyl-3-(ketomethylene)piperazine-1-carboxylic acid Formula: C18H25N5O5 MolecularWeight: 391.4216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCCN2C=CN=C2)OC(=O)N3CCN(CC3=C=O)C(=O)O

Isomeric SMILES

C1CCN(C(C1)CCCN2C=CN=C2)OC(=O)N3CCN(CC3=C=O)C(=O)O

InChI

InChI=1S/C18H25N5O5/c24-13-16-12-21(17(25)26)10-11-22(16)18(27)28-23-8-2-1-4-15(23)5-3-7-20-9-6-19-14-20/h6,9,14-15H,1-5,7-8,10-12H2,(H,25,26)