3-[4-[2-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)ethanoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(2-oxidanylidene-4-piperidin-4-yl-piperazin-1-yl)ethanoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[2-oxo-4-(4-piperidyl)piperazin-1-yl]acetyl]phenyl]propanoic acid CAS Name: 3-[4-[1-oxo-2-[2-oxo-4-(4-piperidinyl)-1-piperazinyl]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[2-keto-4-(4-piperidyl)piperazino]acetyl]phenyl]propionic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCN(C(=O)C2)CC(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CNCCC1N2CCN(C(=O)C2)CC(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C20H27N3O4/c24-18(16-4-1-15(2-5-16)3-6-20(26)27)13-23-12-11-22(14-19(23)25)17-7-9-21-10-8-17/h1-2,4-5,17,21H,3,6-14H2,(H,26,27)