2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[3-[4-(4-pyridyl)piperazin-1-yl]propanoylamino]phenyl]acetic acid CAS Name: 2-[4-[[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoylamino]phenyl]acetic acid Traditional Name: 2-[4-[3-[4-(4-pyridyl)piperazino]propanoylamino]phenyl]acetic acid Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)CC(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)CC(=O)O)C3=CC=NC=C3

InChI

InChI=1S/C20H24N4O3/c25-19(22-17-3-1-16(2-4-17)15-20(26)27)7-10-23-11-13-24(14-12-23)18-5-8-21-9-6-18/h1-6,8-9H,7,10-15H2,(H,22,25)(H,26,27)