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

Systemtic Name: 4-[2-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Openeye Name: 4-[2-methyl-4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 4-[2-methyl-4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 4-[2-methyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 4-[2-methyl-4-[4-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)OCCCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C3=CC=NC=C3)OCCCC(=O)O

InChI

InChI=1S/C20H25N3O3/c1-16-15-18(4-5-19(16)26-14-2-3-20(24)25)23-12-10-22(11-13-23)17-6-8-21-9-7-17/h4-9,15H,2-3,10-14H2,1H3,(H,24,25)