5-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-pentanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 5-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-propan-2-yl-pentanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; N-isopropyl-5-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)pentanamide CAS Name: 5-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-propan-2-ylpentanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 5-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-propan-2-ylpentanamide Traditional Name: N-isopropyl-5-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)valeramide; 3-phenylpropionic acid benzyl ester Formula: C26H35N2O5+ MolecularWeight: 455.5665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCCC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CCCC[N+]1(C(=O)O1)C.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C10H18N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-8(2)11-9(13)6-4-5-7-12(3)10(14)15-12/h1-10H,11-13H2;8H,4-7H2,1-3H3/p+1