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

Systemtic Name: 3-oxidanylidene-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Openeye Name: 3-oxo-2-phenoxy-2-[4-(4-pyridyl)piperazin-1-yl]pentanoic acid CAS Name: 3-oxo-2-phenoxy-2-(4-pyridin-4-yl-1-piperazinyl)pentanoic acid IUPAC Name: 3-oxo-2-phenoxy-2-(4-pyridin-4-ylpiperazin-1-yl)pentanoic acid Traditional Name: 3-keto-2-phenoxy-2-[4-(4-pyridyl)piperazino]valeric acid Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-2-18(24)20(19(25)26,27-17-6-4-3-5-7-17)23-14-12-22(13-15-23)16-8-10-21-11-9-16/h3-11H,2,12-15H2,1H3,(H,25,26)