(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)N2CCOCC2

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C(=O)N2CCOCC2

InChI

InChI=1S/C20H28N2O5/c1-13(2)17(21-18(23)16-7-5-6-14(3)12-16)20(25)27-15(4)19(24)22-8-10-26-11-9-22/h5-7,12-13,15,17H,8-11H2,1-4H3,(H,21,23)