2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]-2-propyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(2-oxidanylidene-4-pyridin-4-yl-piperazin-1-yl)ethanoyl]-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[2-oxo-4-(4-pyridyl)piperazin-1-yl]acetyl]-2-propyl-phenoxy]acetic acid CAS Name: 2-[4-[1-oxo-2-(2-oxo-4-pyridin-4-yl-1-piperazinyl)ethyl]-2-propylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(2-oxo-4-pyridin-4-ylpiperazin-1-yl)acetyl]-2-propylphenoxy]acetic acid Traditional Name: 2-[4-[2-[2-keto-4-(4-pyridyl)piperazino]acetyl]-2-propyl-phenoxy]acetic acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)CN2CCN(CC2=O)C3=CC=NC=C3)OCC(=O)O

InChI

InChI=1S/C22H25N3O5/c1-2-3-17-12-16(4-5-20(17)30-15-22(28)29)19(26)13-25-11-10-24(14-21(25)27)18-6-8-23-9-7-18/h4-9,12H,2-3,10-11,13-15H2,1H3,(H,28,29)