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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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