2-oxidanyl-5-[1-oxidanyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[1-oxidanyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]benzoic acid Openeye Name: 2-hydroxy-5-[1-hydroxy-5-[4-(2-pyridyl)piperazin-1-yl]pentyl]benzoic acid CAS Name: 2-hydroxy-5-[1-hydroxy-5-[4-(2-pyridinyl)-1-piperazinyl]pentyl]benzoic acid IUPAC Name: 2-hydroxy-5-[1-hydroxy-5-(4-pyridin-2-ylpiperazin-1-yl)pentyl]benzoic acid Traditional Name: 2-hydroxy-5-[1-hydroxy-5-[4-(2-pyridyl)piperazino]pentyl]benzoic acid Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C2=CC(=C(C=C2)O)C(=O)O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCCC(C2=CC(=C(C=C2)O)C(=O)O)O)C3=CC=CC=N3

InChI

InChI=1S/C21H27N3O4/c25-18(16-7-8-19(26)17(15-16)21(27)28)5-2-4-10-23-11-13-24(14-12-23)20-6-1-3-9-22-20/h1,3,6-9,15,18,25-26H,2,4-5,10-14H2,(H,27,28)