tert-butyl N-[1-(octadecylamino)-1-oxidanylidene-3-(5-oxidanylpyridin-2-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(octadecylamino)-1-oxidanylidene-3-(5-oxidanylpyridin-2-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(5-hydroxy-2-pyridyl)methyl]-2-(octadecylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(5-hydroxy-2-pyridinyl)-1-(octadecylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(5-hydroxypyridin-2-yl)-1-(octadecylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(5-hydroxy-2-pyridyl)methyl]-2-keto-2-(stearylamino)ethyl]carbamic acid tert-butyl ester Formula: C31H55N3O4 MolecularWeight: 533.7861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H55N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-29(36)28(34-30(37)38-31(2,3)4)24-26-21-22-27(35)25-33-26/h21-22,25,28,35H,5-20,23-24H2,1-4H3,(H,32,36)(H,34,37)