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

Systemtic Name: 2-[4-(1-phenylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoic acid Openeye Name: 2-[4-(1-phenylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid CAS Name: 2-[4-(1-phenylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid IUPAC Name: 2-[4-(1-phenylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Traditional Name: 2-[4-(1-phenylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Formula: C19H32N4O2 MolecularWeight: 348.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)N2CCNCCNCCN(CC2)CC(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1)N2CCNCCNCCN(CC2)CC(=O)O

InChI

InChI=1S/C19H32N4O2/c1-2-18(17-6-4-3-5-7-17)23-13-11-21-9-8-20-10-12-22(14-15-23)16-19(24)25/h3-7,18,20-21H,2,8-16H2,1H3,(H,24,25)