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

Systemtic Name: 2-phenyl-3-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Openeye Name: 2-phenyl-3-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid CAS Name: 2-phenyl-3-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid IUPAC Name: 2-phenyl-3-(1,4,7,10-tetrazacyclododec-1-yl)propanoic acid Traditional Name: 2-phenyl-3-(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(CCNCCN1)CC(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

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