3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide; (phenylmethyl) 3-phenylpropanoate

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,2-oxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide; (phenylmethyl) 3-phenylpropanoate Openeye Name: benzyl 3-phenylpropanoate; 3-(2-methyl-3-oxo-oxaziridin-2-ium-2-yl)-N-(2-morpholinoethyl)propanamide CAS Name: 3-(2-methyl-3-oxo-2-oxaziridin-2-iumyl)-N-[2-(4-morpholinyl)ethyl]propanamide; 3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-phenylpropanoate; 3-(2-methyl-3-oxooxaziridin-2-ium-2-yl)-N-(2-morpholin-4-ylethyl)propanamide Traditional Name: 3-(3-keto-2-methyl-oxaziridin-2-ium-2-yl)-N-(2-morpholinoethyl)propionamide; 3-phenylpropionic acid benzyl ester Formula: C27H36N3O6+ MolecularWeight: 498.59124

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)O1)CCC(=O)NCCN2CCOCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(C(=O)O1)CCC(=O)NCCN2CCOCC2.C1=CC=C(C=C1)CCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H16O2.C11H19N3O4/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15;1-14(11(16)18-14)7-2-10(15)12-3-4-13-5-8-17-9-6-13/h1-10H,11-13H2;2-9H2,1H3/p+1