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

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] octanoate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] octanoate CAS Name: octanoic acid [1-(1,3-dioxo-2-isoindolyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-(1,3-dioxoisoindol-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] octanoate Traditional Name: caprylic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCC(=O)OC(CN1CCN(CC1)C2=CC=CC=N2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H36N4O4/c1-2-3-4-5-6-14-26(33)36-22(21-32-27(34)23-11-7-8-12-24(23)28(32)35)20-30-16-18-31(19-17-30)25-13-9-10-15-29-25/h7-13,15,22H,2-6,14,16-21H2,1H3