[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C(C)C)C(=O)NC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-8(2)13(14(19)18-16(17)21)22-15(20)12-10(4)6-9(3)7-11(12)5/h6-8,13H,1-5H3,(H3,17,18,19,21)/t13-/m0/s1