3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid

Systemtic Name: 3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Openeye Name: 3-benzyloxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid CAS Name: 3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid IUPAC Name: 3-phenylmethoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Traditional Name: 3-benzoxy-2-(1,4,7,10-tetrazacyclododec-1-yl)propionic acid Formula: C18H30N4O3 MolecularWeight: 350.4558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CNCCN(CCNCCN1)C(COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H30N4O3/c23-18(24)17(15-25-14-16-4-2-1-3-5-16)22-12-10-20-8-6-19-7-9-21-11-13-22/h1-5,17,19-21H,6-15H2,(H,23,24)