[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [(1R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [(2R)-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [(1R)-2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl] ester Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)OC(=O)C2=C(C=CC(=C2)OC)Br)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)OC)Br)C

InChI

InChI=1S/C18H24BrNO4/c1-11-6-5-7-12(2)20(11)17(21)13(3)24-18(22)15-10-14(23-4)8-9-16(15)19/h8-13H,5-7H2,1-4H3/t11-,12-,13-/m1/s1