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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(C(CC(=O)O)C3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(C(CC(=O)O)C3=CC=CC=C3)OC4=CC=CC=C4

InChI

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