[1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] hexadecanoate

Systemtic Name: [1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] hexadecanoate Openeye Name: [1-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] hexadecanoate CAS Name: hexadecanoic acid [1-(2,5-dioxo-1-pyrrolidinyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] hexadecanoate Traditional Name: palmitic acid [1-[[4-(2-pyridyl)piperazino]methyl]-2-succinimido-ethyl] ester Formula: C32H52N4O4 MolecularWeight: 556.77968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)CCC3=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)CCC3=O

InChI

InChI=1S/C32H52N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-32(39)40-28(27-36-30(37)19-20-31(36)38)26-34-22-24-35(25-23-34)29-17-15-16-21-33-29/h15-17,21,28H,2-14,18-20,22-27H2,1H3