tert-butyl N-[4-(3-cyanopropylamino)butyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-(3-cyanopropylamino)butyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate Openeye Name: tert-butyl N-[4-(tert-butoxycarbonylamino)butyl]-N-[4-(3-cyanopropylamino)butyl]carbamate CAS Name: N-[4-(3-cyanopropylamino)butyl]-N-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-cyanopropylamino)butyl]-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate Traditional Name: N-[4-(tert-butoxycarbonylamino)butyl]-N-[4-(3-cyanopropylamino)butyl]carbamic acid tert-butyl ester Formula: C22H42N4O4 MolecularWeight: 426.59328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCN(CCCCNCCCC#N)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCN(CCCCNCCCC#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H42N4O4/c1-21(2,3)29-19(27)25-16-10-12-18-26(20(28)30-22(4,5)6)17-11-9-15-24-14-8-7-13-23/h24H,7-12,14-18H2,1-6H3,(H,25,27)