[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC(=O)C2=CC(=C(C=C2C)C)C

InChI

InChI=1S/C22H25NO4/c1-14-7-5-6-8-18(14)22(26)23-10-9-21(25)27-13-20(24)19-12-16(3)15(2)11-17(19)4/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,26)