2-[4-(carboxymethyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazonan-1-yl]ethanoic acid

Systemtic Name: 2-[4-(carboxymethyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazonan-1-yl]ethanoic acid Openeye Name: 2-[4-(carboxymethyl)-7-(2-pyridylmethyl)-1,4,7-triazonan-1-yl]acetic acid CAS Name: 2-[4-(carboxymethyl)-7-(2-pyridinylmethyl)-1,4,7-triazonan-1-yl]acetic acid IUPAC Name: 2-[4-(carboxymethyl)-7-(pyridin-2-ylmethyl)-1,4,7-triazonan-1-yl]acetic acid Traditional Name: 2-[4-(carboxymethyl)-7-(2-pyridylmethyl)-1,4,7-triazonan-1-yl]acetic acid Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC2=CC=CC=N2)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN1CC2=CC=CC=N2)CC(=O)O)CC(=O)O

InChI

InChI=1S/C16H24N4O4/c21-15(22)12-19-7-5-18(11-14-3-1-2-4-17-14)6-8-20(10-9-19)13-16(23)24/h1-4H,5-13H2,(H,21,22)(H,23,24)