[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H23NO4/c1-13-6-5-7-17(10-13)20(24)22-16(4)21(25)26-12-19(23)18-11-14(2)8-9-15(18)3/h5-11,16H,12H2,1-4H3,(H,22,24)/t16-/m0/s1