[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC(=C(C(=C1)OC)Br)OC

Isomeric SMILES

C[C@H](C(=O)NCC(C)C)OC(=O)C1=CC(=C(C(=C1)OC)Br)OC

InChI

InChI=1S/C16H22BrNO5/c1-9(2)8-18-15(19)10(3)23-16(20)11-6-12(21-4)14(17)13(7-11)22-5/h6-7,9-10H,8H2,1-5H3,(H,18,19)/t10-/m1/s1