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4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid

4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid

Systemtic Name:4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
Openeye Name:4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
CAS Name:4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
IUPAC Name:4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
Traditional Name:4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid
Formula: C18H30N4O2
MolecularWeight: 334.4564
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C18H30N4O2/c23-18(24)17-5-3-16(4-6-17)15-22-13-2-9-20-11-10-19-7-1-8-21-12-14-22/h3-6,19-21H,1-2,7-15H2,(H,23,24)


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