phenacyl 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: phenacyl 3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: phenacyl 3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid phenacyl ester IUPAC Name: phenacyl 3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(o-toluoylamino)butyric acid phenacyl ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO4/c1-14(2)19(22-20(24)17-12-8-7-9-15(17)3)21(25)26-13-18(23)16-10-5-4-6-11-16/h4-12,14,19H,13H2,1-3H3,(H,22,24)