pyridin-2-ylmethyl N-[3-[6-(3-methylbutanoylamino)hexyl]oxiran-2-yl]carbamate

Systemtic Name: pyridin-2-ylmethyl N-[3-[6-(3-methylbutanoylamino)hexyl]oxiran-2-yl]carbamate Openeye Name: 2-pyridylmethyl N-[3-[6-(3-methylbutanoylamino)hexyl]oxiran-2-yl]carbamate CAS Name: N-[3-[6-[(3-methyl-1-oxobutyl)amino]hexyl]-2-oxiranyl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N-[3-[6-(3-methylbutanoylamino)hexyl]oxiran-2-yl]carbamate Traditional Name: N-[3-[6-(isovalerylamino)hexyl]oxiran-2-yl]carbamic acid 2-pyridylmethyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCCCCCC1C(O1)NC(=O)OCC2=CC=CC=N2

Isomeric SMILES

CC(C)CC(=O)NCCCCCCC1C(O1)NC(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C20H31N3O4/c1-15(2)13-18(24)22-12-7-4-3-5-10-17-19(27-17)23-20(25)26-14-16-9-6-8-11-21-16/h6,8-9,11,15,17,19H,3-5,7,10,12-14H2,1-2H3,(H,22,24)(H,23,25)