tritert-butyl 11-(2-chloranylethanoyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

Systemtic Name: tritert-butyl 11-(2-chloranylethanoyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 11-(2-chloroacetyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 11-(2-chloro-1-oxoethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 11-(2-chloroacetyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 11-(2-chloroacetyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C27H49ClN4O7 MolecularWeight: 577.15356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)CCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)CCl

InChI

InChI=1S/C27H49ClN4O7/c1-25(2,3)37-22(34)30-14-11-15-32(24(36)39-27(7,8)9)19-18-31(23(35)38-26(4,5)6)13-10-12-29(16-17-30)21(33)20-28/h10-20H2,1-9H3