N-methyl-3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-methylpropyl)propanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: N-methyl-3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-methylpropyl)propanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; N-isobutyl-N-methyl-3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)propanamide CAS Name: N-methyl-3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-(2-methylpropyl)propanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; N-methyl-3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-(2-methylpropyl)propanamide Traditional Name: N-isobutyl-3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-methyl-propionamide; 3-phenylpropionic acid benzyl ester Formula: C26H35N2O5+ MolecularWeight: 455.5665

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16O2.C10H19N2O3/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-8(2)7-11(3)9(13)5-6-12(4)10(14)15-12/h1-10H,11-13H2;8H,5-7H2,1-4H3/q;+1