[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] undec-10-enoate

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] undec-10-enoate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] undec-10-enoate CAS Name: 10-undecenoic 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] undec-10-enoate Traditional Name: undec-10-enoic acid [1-(phthalimidomethyl)-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C31H40N4O4 MolecularWeight: 532.6737

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N4O4/c1-2-3-4-5-6-7-8-9-17-29(36)39-25(24-35-30(37)26-14-10-11-15-27(26)31(35)38)23-33-19-21-34(22-20-33)28-16-12-13-18-32-28/h2,10-16,18,25H,1,3-9,17,19-24H2