[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4/c1-13-8-7-9-14(2)18(13)23-17(24)12-27-19(25)15(3)21-20(26)22-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,23,24)(H2,21,22,26)/t15-/m0/s1