2-[2-[2-[bis(carboxymethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethanoic acid

Systemtic Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethanoic acid Openeye Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-pyridylmethyl)amino]ethyl-(2-pyridylmethyl)amino]acetic acid CAS Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-pyridinylmethyl)amino]ethyl-(2-pyridinylmethyl)amino]acetic acid IUPAC Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid Traditional Name: 2-[2-[2-[bis(carboxymethyl)amino]ethyl-(2-pyridylmethyl)amino]ethyl-(2-pyridylmethyl)amino]acetic acid Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC(=O)O)CCN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CN(CCN(CC2=CC=CC=N2)CC(=O)O)CCN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C22H29N5O6/c28-20(29)15-26(14-19-6-2-4-8-24-19)11-9-25(13-18-5-1-3-7-23-18)10-12-27(16-21(30)31)17-22(32)33/h1-8H,9-17H2,(H,28,29)(H,30,31)(H,32,33)