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

Systemtic Name: [(2S)-1-oxidanylidene-1-[(phenylmethyl)carbamoylamino]propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-2-(benzylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-oxo-1-[[oxo-[(phenylmethyl)amino]methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-(benzylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)NC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)O[C@@H](C)C(=O)NC(=O)NCC2=CC=CC=C2)C

InChI

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