3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]hexanedioic acid

Systemtic Name: 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperidin-4-yl]hexanedioic acid Openeye Name: 3-[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]-4-piperidyl]hexanedioic acid CAS Name: 3-[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-4-piperidinyl]hexanedioic acid IUPAC Name: 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]hexanedioic acid Traditional Name: 3-[1-[2-[4-(4-pyridyl)piperazino]acetyl]-4-piperidyl]adipic acid Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(CCC(=O)O)CC(=O)O)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCC1C(CCC(=O)O)CC(=O)O)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C22H32N4O5/c27-20(16-24-11-13-25(14-12-24)19-3-7-23-8-4-19)26-9-5-17(6-10-26)18(15-22(30)31)1-2-21(28)29/h3-4,7-8,17-18H,1-2,5-6,9-16H2,(H,28,29)(H,30,31)