[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H21BrN2O6 MolecularWeight: 417.25174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CC1=CC(=C(C=C1Br)OC)OC

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CC1=CC(=C(C=C1Br)OC)OC

InChI

InChI=1S/C16H21BrN2O6/c1-8(2)14(15(21)19-16(18)22)25-13(20)6-9-5-11(23-3)12(24-4)7-10(9)17/h5,7-8,14H,6H2,1-4H3,(H3,18,19,21,22)/t14-/m1/s1