[2-(2-methylmorpholin-4-yl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CC1CN(CCO1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C20H28N2O5/c1-13(2)18(21-19(24)16-7-5-6-14(3)10-16)20(25)27-12-17(23)22-8-9-26-15(4)11-22/h5-7,10,13,15,18H,8-9,11-12H2,1-4H3,(H,21,24)/t15?,18-/m0/s1