2-[4-chloranyl-2-[[4-(2-pyridin-3-ylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-chloranyl-2-[[4-(2-pyridin-3-ylethanoyl)piperazin-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-chloro-2-[[4-[2-(3-pyridyl)acetyl]piperazin-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-chloro-2-[[4-[1-oxo-2-(3-pyridinyl)ethyl]-1-piperazinyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-chloro-2-[[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-chloro-2-[[4-[2-(3-pyridyl)acetyl]piperazino]methyl]phenoxy]acetic acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=C(C=CC(=C2)Cl)OCC(=O)O)C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C20H22ClN3O4/c21-17-3-4-18(28-14-20(26)27)16(11-17)13-23-6-8-24(9-7-23)19(25)10-15-2-1-5-22-12-15/h1-5,11-12H,6-10,13-14H2,(H,26,27)