2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]ethanoic acid

Systemtic Name: 2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]ethanoic acid Openeye Name: 2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid CAS Name: 2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid IUPAC Name: 2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid Traditional Name: 2-[3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]acetic acid Formula: C17H24N4O6 MolecularWeight: 380.39566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=NC(=CC=C2)CN(CCN1CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CC2=NC(=CC=C2)CN(CCN1CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C17H24N4O6/c22-15(23)10-19-4-6-20(11-16(24)25)8-13-2-1-3-14(18-13)9-21(7-5-19)12-17(26)27/h1-3H,4-12H2,(H,22,23)(H,24,25)(H,26,27)