4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid

Systemtic Name: 4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid Openeye Name: 4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid CAS Name: 4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid IUPAC Name: 4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid Traditional Name: 4-(1,4,8-triazacyclotetradec-1-ylmethyl)benzoic acid Formula: C19H31N3O2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCNCCCNCC1)CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CCCN(CCNCCCNCC1)CC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H31N3O2/c23-19(24)18-8-6-17(7-9-18)16-22-14-4-2-1-3-10-20-11-5-12-21-13-15-22/h6-9,20-21H,1-5,10-16H2,(H,23,24)