2-[2-(carboxymethyloxy)-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-4-[3-[4-(4-pyridyl)piperazin-1-yl]propanoyl]phenoxy]acetic acid CAS Name: 2-[2-(carboxymethyloxy)-4-[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]phenoxy]acetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]acetic acid Traditional Name: 2-[2-(carboxymethyloxy)-4-[3-[4-(4-pyridyl)piperazino]propanoyl]phenoxy]acetic acid Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7/c26-18(5-8-24-9-11-25(12-10-24)17-3-6-23-7-4-17)16-1-2-19(31-14-21(27)28)20(13-16)32-15-22(29)30/h1-4,6-7,13H,5,8-12,14-15H2,(H,27,28)(H,29,30)