methyl 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoate

Systemtic Name: methyl 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoate Openeye Name: methyl 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoate CAS Name: 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoate Traditional Name: 4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)benzoic acid methyl ester Formula: C17H28N4O2 MolecularWeight: 320.42982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCNCCNCCNCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCNCCNCCNCC2

InChI

InChI=1S/C17H28N4O2/c1-23-17(22)16-4-2-15(3-5-16)14-21-12-10-19-8-6-18-7-9-20-11-13-21/h2-5,18-20H,6-14H2,1H3