3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]phenyl]propanoic acid CAS Name: 3-[4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-[4-(4-pyridyl)piperazino]acetyl]phenyl]propionic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)CCC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C20H23N3O3/c24-19(17-4-1-16(2-5-17)3-6-20(25)26)15-22-11-13-23(14-12-22)18-7-9-21-10-8-18/h1-2,4-5,7-10H,3,6,11-15H2,(H,25,26)