tert-butyl N-(5-hex-1-ynylpyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Systemtic Name: tert-butyl N-(5-hex-1-ynylpyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Openeye Name: tert-butyl N-(tert-butoxycarbonylamino)-N-(5-hex-1-ynyl-2-pyridyl)carbamate CAS Name: N-(5-hex-1-ynyl-2-pyridinyl)-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-hex-1-ynylpyridin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate Traditional Name: N-(tert-butoxycarbonylamino)-N-(5-hex-1-ynyl-2-pyridyl)carbamic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CN=C(C=C1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC#CC1=CN=C(C=C1)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-8-9-10-11-12-16-13-14-17(22-15-16)24(19(26)28-21(5,6)7)23-18(25)27-20(2,3)4/h13-15H,8-10H2,1-7H3,(H,23,25)