tert-butyl 2-[4-(3-azanylpropyl)-7-methanoyl-1,4,7-triazonan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-(3-azanylpropyl)-7-methanoyl-1,4,7-triazonan-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(3-aminopropyl)-7-formyl-1,4,7-triazonan-1-yl]acetate CAS Name: 2-[4-(3-aminopropyl)-7-formyl-1,4,7-triazonan-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(3-aminopropyl)-7-formyl-1,4,7-triazonan-1-yl]acetate Traditional Name: 2-[4-(3-aminopropyl)-7-formyl-1,4,7-triazonan-1-yl]acetic acid tert-butyl ester Formula: C16H32N4O3 MolecularWeight: 328.45028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CCN(CC1)C=O)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CCN(CC1)C=O)CCCN

InChI

InChI=1S/C16H32N4O3/c1-16(2,3)23-15(22)13-19-9-7-18(6-4-5-17)8-11-20(14-21)12-10-19/h14H,4-13,17H2,1-3H3