2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid

Systemtic Name: 2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid Openeye Name: 2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid CAS Name: 2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid IUPAC Name: 2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid Traditional Name: 2-methyl-4-(1,4,8,11-tetrazacyclotetradec-1-yl)benzoic acid Formula: C18H30N4O2 MolecularWeight: 334.4564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCNCCNCCCNCC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCNCCNCCCNCC2)C(=O)O

InChI

InChI=1S/C18H30N4O2/c1-15-14-16(4-5-17(15)18(23)24)22-12-3-8-20-10-9-19-6-2-7-21-11-13-22/h4-5,14,19-21H,2-3,6-13H2,1H3,(H,23,24)