2-[3-(carboxymethyloxy)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-(carboxymethyloxy)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]ethanoic acid Openeye Name: 2-[3-(carboxymethyloxy)-5-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]phenoxy]acetic acid CAS Name: 2-[3-(carboxymethyloxy)-5-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]phenoxy]acetic acid IUPAC Name: 2-[3-(carboxymethyloxy)-5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenoxy]acetic acid Traditional Name: 2-[3-(carboxymethyloxy)-5-[4-[2-(4-piperidyl)ethyl]piperazino]phenoxy]acetic acid Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6/c25-20(26)14-29-18-11-17(12-19(13-18)30-15-21(27)28)24-9-7-23(8-10-24)6-3-16-1-4-22-5-2-16/h11-13,16,22H,1-10,14-15H2,(H,25,26)(H,27,28)