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

Systemtic Name: [1-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] octanoate Openeye Name: [1-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] octanoate CAS Name: octanoic 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] octanoate Traditional Name: caprylic acid [1-[[4-(2-pyridyl)piperazino]methyl]-2-succinimido-ethyl] ester Formula: C24H36N4O4 MolecularWeight: 444.56704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N4O4/c1-2-3-4-5-6-10-24(31)32-20(19-28-22(29)11-12-23(28)30)18-26-14-16-27(17-15-26)21-9-7-8-13-25-21/h7-9,13,20H,2-6,10-12,14-19H2,1H3