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

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C16H19BrN2O5 MolecularWeight: 399.23646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O5/c1-10(15(20)19(2)7-5-6-18)24-16(21)11-8-12(22-3)14(17)13(9-11)23-4/h8-10H,5,7H2,1-4H3/t10-/m1/s1