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

Systemtic Name: 2-[4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazonan-1-yl]ethanoic acid Openeye Name: 2-[4,7-bis(2-pyridylmethyl)-1,4,7-triazonan-1-yl]acetic acid CAS Name: 2-[4,7-bis(2-pyridinylmethyl)-1,4,7-triazonan-1-yl]acetic acid IUPAC Name: 2-[4,7-bis(pyridin-2-ylmethyl)-1,4,7-triazonan-1-yl]acetic acid Traditional Name: 2-[4,7-bis(2-pyridylmethyl)-1,4,7-triazonan-1-yl]acetic acid Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC2=CC=CC=N2)CC(=O)O)CC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN(CCN1CC2=CC=CC=N2)CC(=O)O)CC3=CC=CC=N3

InChI

InChI=1S/C20H27N5O2/c26-20(27)17-25-13-11-23(15-18-5-1-3-7-21-18)9-10-24(12-14-25)16-19-6-2-4-8-22-19/h1-8H,9-17H2,(H,26,27)