4-[4-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)phenoxy]butanoic acid

Systemtic Name: 4-[4-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)phenoxy]butanoic acid Openeye Name: 4-[4-[2-oxo-4-(4-pyridyl)piperazin-1-yl]phenoxy]butanoic acid CAS Name: 4-[4-(2-oxo-4-pyridin-4-yl-1-piperazinyl)phenoxy]butanoic acid IUPAC Name: 4-[4-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoic acid Traditional Name: 4-[4-[2-keto-4-(4-pyridyl)piperazino]phenoxy]butyric acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=NC=C2)C3=CC=C(C=C3)OCCCC(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=NC=C2)C3=CC=C(C=C3)OCCCC(=O)O

InChI

InChI=1S/C19H21N3O4/c23-18-14-21(15-7-9-20-10-8-15)11-12-22(18)16-3-5-17(6-4-16)26-13-1-2-19(24)25/h3-10H,1-2,11-14H2,(H,24,25)