tert-butyl N-[1-(6-dodec-1-ynylpyridin-2-yl)-1,3-bis(oxidanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(6-dodec-1-ynylpyridin-2-yl)-1,3-bis(oxidanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(6-dodec-1-ynyl-2-pyridyl)-2-hydroxy-1-(hydroxymethyl)ethyl]carbamate CAS Name: N-[1-(6-dodec-1-ynyl-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(6-dodec-1-ynylpyridin-2-yl)-1,3-dihydroxypropan-2-yl]carbamate Traditional Name: N-[2-(6-dodec-1-ynyl-2-pyridyl)-2-hydroxy-1-methylol-ethyl]carbamic acid tert-butyl ester Formula: C25H40N2O4 MolecularWeight: 432.5961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCC#CC1=NC(=CC=C1)C(C(CO)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H40N2O4/c1-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(26-20)23(29)22(19-28)27-24(30)31-25(2,3)4/h15,17-18,22-23,28-29H,5-13,19H2,1-4H3,(H,27,30)