[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OC(C)C(=O)N(C)CCC#N)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O5/c1-5-24-14-10-12(9-13(18)15(14)23-4)17(22)25-11(2)16(21)20(3)8-6-7-19/h9-11H,5-6,8H2,1-4H3/t11-/m1/s1