tert-butyl 4-(3-azanylpropyl)-7-(2-methoxy-2-oxidanylidene-ethyl)-1,4,7-triazonane-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanylpropyl)-7-(2-methoxy-2-oxidanylidene-ethyl)-1,4,7-triazonane-1-carboxylate Openeye Name: tert-butyl 4-(3-aminopropyl)-7-(2-methoxy-2-oxo-ethyl)-1,4,7-triazonane-1-carboxylate CAS Name: 4-(3-aminopropyl)-7-(2-methoxy-2-oxoethyl)-1,4,7-triazonane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-aminopropyl)-7-(2-methoxy-2-oxoethyl)-1,4,7-triazonane-1-carboxylate Traditional Name: 4-(3-aminopropyl)-7-(2-keto-2-methoxy-ethyl)-1,4,7-triazonane-1-carboxylic acid tert-butyl ester Formula: C17H34N4O4 MolecularWeight: 358.47626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CC1)CC(=O)OC)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CC1)CC(=O)OC)CCCN

InChI

InChI=1S/C17H34N4O4/c1-17(2,3)25-16(23)21-12-10-19(7-5-6-18)8-9-20(11-13-21)14-15(22)24-4/h5-14,18H2,1-4H3