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

Systemtic Name: tritert-butyl 11-(2-oxidanylidene-2-phenylmethoxy-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Openeye Name: tritert-butyl 11-(2-benzyloxy-2-oxo-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate CAS Name: 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 11-(2-oxo-2-phenylmethoxyethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate Traditional Name: 11-(2-benzoxy-2-keto-ethyl)-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylic acid tritert-butyl ester Formula: C34H56N4O8 MolecularWeight: 648.83044

Click to see the large picture

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)CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C34H56N4O8/c1-32(2,3)44-29(40)36-19-14-20-38(31(42)46-34(7,8)9)24-23-37(30(41)45-33(4,5)6)18-13-17-35(21-22-36)25-28(39)43-26-27-15-11-10-12-16-27/h10-12,15-16H,13-14,17-26H2,1-9H3