[(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4/c1-12-10-13(2)17(14(3)11-12)19(24)26-15(4)18(23)22-20(25)21-16-8-6-5-7-9-16/h5-11,15H,1-4H3,(H2,21,22,23,25)/t15-/m0/s1