[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C20H21BrN2O6 MolecularWeight: 465.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC(=O)C1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H21BrN2O6/c1-12(18(24)23-20(26)22-2)29-19(25)14-9-15(21)17(16(10-14)27-3)28-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H2,22,23,24,26)/t12-/m0/s1