[2-[bis(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,4,7,10-tetrazacyclododecane-1-carboxylate

Systemtic Name: [2-[bis(naphthalen-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 1,4,7,10-tetrazacyclododecane-1-carboxylate Openeye Name: [2-[bis(2-naphthylmethyl)amino]-2-oxo-ethyl] 1,4,7,10-tetrazacyclododecane-1-carboxylate CAS Name: 1,4,7,10-tetrazacyclododecane-1-carboxylic acid [2-[bis(2-naphthalenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(naphthalen-2-ylmethyl)amino]-2-oxoethyl] 1,4,7,10-tetrazacyclododecane-1-carboxylate Traditional Name: 1,4,7,10-tetrazacyclododecane-1-carboxylic acid [2-[bis(2-naphthylmethyl)amino]-2-keto-ethyl] ester Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCNCCN1)C(=O)OCC(=O)N(CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CNCCN(CCNCCN1)C(=O)OCC(=O)N(CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C33H39N5O3/c39-32(25-41-33(40)37-19-17-35-15-13-34-14-16-36-18-20-37)38(23-26-9-11-28-5-1-3-7-30(28)21-26)24-27-10-12-29-6-2-4-8-31(29)22-27/h1-12,21-22,34-36H,13-20,23-25H2