[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2)C)C

InChI

InChI=1S/C21H24N2O4/c1-13-10-15(3)18(11-14(13)2)19(24)12-27-20(25)16(4)22-21(26)23-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H2,22,23,26)/t16-/m0/s1