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

Systemtic Name: 2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)-4-phenoxy-butanoic acid Openeye Name: 2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]-4-phenoxy-butanoic acid CAS Name: 2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)-4-phenoxybutanoic acid IUPAC Name: 2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)-4-phenoxybutanoic acid Traditional Name: 2-[2-keto-4-(4-pyridyl)piperazino]-4-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)C(CCOC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=NC=C2)C(CCOC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H21N3O4/c23-18-14-21(15-6-9-20-10-7-15)11-12-22(18)17(19(24)25)8-13-26-16-4-2-1-3-5-16/h1-7,9-10,17H,8,11-14H2,(H,24,25)