2-[4-(2-oxidanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid

Systemtic Name: 2-[4-(2-oxidanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C13H28N4O3 MolecularWeight: 288.38642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCNCCNCCN(CC1)CC(=O)O)O

Isomeric SMILES

CC(CN1CCNCCNCCN(CC1)CC(=O)O)O

InChI

InChI=1S/C13H28N4O3/c1-12(18)10-16-6-4-14-2-3-15-5-7-17(9-8-16)11-13(19)20/h12,14-15,18H,2-11H2,1H3,(H,19,20)