3-phenyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid

Systemtic Name: 3-phenyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Openeye Name: 3-phenyl-4-[4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 3-phenyl-4-[4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 3-phenyl-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 3-phenyl-4-[4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)OCC(CC(=O)O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)OCC(CC(=O)O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H27N3O3/c29-25(30)18-21(20-4-2-1-3-5-20)19-31-24-8-6-22(7-9-24)27-14-16-28(17-15-27)23-10-12-26-13-11-23/h1-13,21H,14-19H2,(H,29,30)