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

Systemtic Name: 3-(2-phenyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Openeye Name: 3-(2-phenyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid CAS Name: 3-(2-phenyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid IUPAC Name: 3-(2-phenyl-1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Traditional Name: 3-(2-phenyl-1,4,7,10-tetrazacyclododec-1-yl)propionic acid Formula: C17H28N4O2 MolecularWeight: 320.42982

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C(CNCCN1)C2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

C1CNCCN(C(CNCCN1)C2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C17H28N4O2/c22-17(23)6-12-21-13-11-19-8-7-18-9-10-20-14-16(21)15-4-2-1-3-5-15/h1-5,16,18-20H,6-14H2,(H,22,23)