tritert-butyl 11-(2-ethoxy-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

Systemtic Name: tritert-butyl 11-(2-ethoxy-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 11-(2-ethoxy-2-oxo-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 11-(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 11-(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 11-(2-ethoxy-2-keto-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C29H54N4O8 MolecularWeight: 586.76106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CN1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H54N4O8/c1-11-38-23(34)22-30-14-12-15-32(25(36)40-28(5,6)7)20-21-33(26(37)41-29(8,9)10)17-13-16-31(19-18-30)24(35)39-27(2,3)4/h11-22H2,1-10H3