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

Systemtic Name: 2-[2-(carboxymethyloxy)-3-ethanoyl-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]ethanoic acid Openeye Name: 2-[3-acetyl-2-(carboxymethyloxy)-4-[4-(4-pyridyl)piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[3-acetyl-2-(carboxymethyloxy)-4-(4-pyridin-4-yl-1-piperazinyl)phenoxy]acetic acid IUPAC Name: 2-[3-acetyl-2-(carboxymethyloxy)-4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]acetic acid Traditional Name: 2-[3-acetyl-2-(carboxymethyloxy)-4-[4-(4-pyridyl)piperazino]phenoxy]acetic acid Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1OCC(=O)O)OCC(=O)O)N2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1OCC(=O)O)OCC(=O)O)N2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C21H23N3O7/c1-14(25)20-16(24-10-8-23(9-11-24)15-4-6-22-7-5-15)2-3-17(30-12-18(26)27)21(20)31-13-19(28)29/h2-7H,8-13H2,1H3,(H,26,27)(H,28,29)