5-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid

Systemtic Name: 5-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid Openeye Name: 5-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]pentanoic acid CAS Name: 5-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]pentanoic acid IUPAC Name: 5-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]pentanoic acid Traditional Name: 5-[4-[4-(4-pyridyl)piperazino]phenoxy]valeric acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OCCCCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OCCCCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3/c24-20(25)3-1-2-16-26-19-6-4-17(5-7-19)22-12-14-23(15-13-22)18-8-10-21-11-9-18/h4-11H,1-3,12-16H2,(H,24,25)