[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C(C)C)C(=O)NC(=O)N)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O[C@H](C(C)C)C(=O)NC(=O)N)Br)OC

InChI

InChI=1S/C16H21BrN2O6/c1-5-24-11-7-9(6-10(17)13(11)23-4)15(21)25-12(8(2)3)14(20)19-16(18)22/h6-8,12H,5H2,1-4H3,(H3,18,19,20,22)/t12-/m1/s1