methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate

Systemtic Name: methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate Openeye Name: methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate CAS Name: 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoate Traditional Name: 2,5-bis(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoic acid methyl ester Formula: C30H56N8O2 MolecularWeight: 560.81804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)CN2CCCNCCNCCCNCC2)CN3CCCNCCNCCCNCC3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)CN2CCCNCCNCCCNCC2)CN3CCCNCCNCCCNCC3

InChI

InChI=1S/C30H56N8O2/c1-40-30(39)29-24-27(25-37-20-4-12-33-16-14-31-8-2-10-35-18-22-37)6-7-28(29)26-38-21-5-13-34-17-15-32-9-3-11-36-19-23-38/h6-7,24,31-36H,2-5,8-23,25-26H2,1H3