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

Systemtic Name: N-methyl-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-N-methyl-5-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)pentanamide CAS Name: N-methyl-5-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-propan-2-ylpentanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; N-methyl-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)-N-methyl-valeramide; 3-phenylpropionic acid benzyl ester Formula: C27H37N2O5+ MolecularWeight: 469.59308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C11H21N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-9(2)12(3)10(14)7-5-6-8-13(4)11(15)16-13/h1-10H,11-13H2;9H,5-8H2,1-4H3/q;+1