[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H26N2O4/c1-14-9-10-16(3)19(13-14)24-21(26)17(4)28-20(25)11-12-23-22(27)18-8-6-5-7-15(18)2/h5-10,13,17H,11-12H2,1-4H3,(H,23,27)(H,24,26)