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

Systemtic Name: 3-oxidanylidene-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Openeye Name: 3-oxo-2-phenoxy-2-[4-(4-pyridyl)piperazin-1-yl]butanoic acid CAS Name: 3-oxo-2-phenoxy-2-(4-pyridin-4-yl-1-piperazinyl)butanoic acid IUPAC Name: 3-oxo-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)butanoic acid Traditional Name: 3-keto-2-phenoxy-2-[4-(4-pyridyl)piperazino]butyric acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)C(C(=O)O)(N1CCN(CC1)C2=CC=NC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c1-15(23)19(18(24)25,26-17-5-3-2-4-6-17)22-13-11-21(12-14-22)16-7-9-20-10-8-16/h2-10H,11-14H2,1H3,(H,24,25)