2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid

Systemtic Name: 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid Openeye Name: 2-[3-[4-(4-pyridyl)piperazin-1-yl]phenoxy]pentanoic acid CAS Name: 2-[3-(4-pyridin-4-yl-1-piperazinyl)phenoxy]pentanoic acid IUPAC Name: 2-[3-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid Traditional Name: 2-[3-[4-(4-pyridyl)piperazino]phenoxy]valeric acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCC(C(=O)O)OC1=CC=CC(=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3/c1-2-4-19(20(24)25)26-18-6-3-5-17(15-18)23-13-11-22(12-14-23)16-7-9-21-10-8-16/h3,5-10,15,19H,2,4,11-14H2,1H3,(H,24,25)