2-[2-(carboxymethyloxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-(carboxymethyloxy)-4-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[2-(carboxymethyloxy)-4-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[2-(carboxymethyloxy)-4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]acetic acid Traditional Name: 2-[2-(carboxymethyloxy)-4-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]acetic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCN2CCN(CC2)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

Isomeric SMILES

C1CNCCC1CCN2CCN(CC2)C3=CC(=C(C=C3)OCC(=O)O)OCC(=O)O

InChI

InChI=1S/C21H31N3O6/c25-20(26)14-29-18-2-1-17(13-19(18)30-15-21(27)28)24-11-9-23(10-12-24)8-5-16-3-6-22-7-4-16/h1-2,13,16,22H,3-12,14-15H2,(H,25,26)(H,27,28)