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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(CC(=O)O)COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H25N3O3/c1-16(14-20(24)25)15-26-19-4-2-17(3-5-19)22-10-12-23(13-11-22)18-6-8-21-9-7-18/h2-9,16H,10-15H2,1H3,(H,24,25)