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

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

Systemtic Name:2-[3-phenyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid
Openeye Name:2-[3-phenyl-4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid
CAS Name:2-[3-phenyl-4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid
IUPAC Name:2-[3-phenyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid
Traditional Name:2-[3-phenyl-4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid
Formula: C25H27N3O3
MolecularWeight: 417.50018
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C4=CC=CC=C4


Isomeric SMILES

CCC(C(=O)O)OC1=CC(=C(C=C1)N2CCN(CC2)C3=CC=NC=C3)C4=CC=CC=C4


InChI

InChI=1S/C25H27N3O3/c1-2-24(25(29)30)31-21-8-9-23(22(18-21)19-6-4-3-5-7-19)28-16-14-27(15-17-28)20-10-12-26-13-11-20/h3-13,18,24H,2,14-17H2,1H3,(H,29,30)


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