pyridin-2-ylmethyl N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]carbamate

Systemtic Name: pyridin-2-ylmethyl N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]carbamate Openeye Name: 2-pyridylmethyl N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]carbamate CAS Name: N-[3-[4-[(3-methyl-1-oxobutyl)amino]butyl]-2-oxiranyl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N-[3-[4-(3-methylbutanoylamino)butyl]oxiran-2-yl]carbamate Traditional Name: N-[3-[4-(isovalerylamino)butyl]oxiran-2-yl]carbamic acid 2-pyridylmethyl ester Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NCCCCC1C(O1)NC(=O)OCC2=CC=CC=N2

Isomeric SMILES

CC(C)CC(=O)NCCCCC1C(O1)NC(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C18H27N3O4/c1-13(2)11-16(22)20-10-6-4-8-15-17(25-15)21-18(23)24-12-14-7-3-5-9-19-14/h3,5,7,9,13,15,17H,4,6,8,10-12H2,1-2H3,(H,20,22)(H,21,23)