[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C16H19Br2NO4 MolecularWeight: 449.13436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=CC(=CC(=C2O)Br)Br)C

InChI

InChI=1S/C16H19Br2NO4/c1-9-3-10(2)7-19(6-9)14(20)8-23-16(22)12-4-11(17)5-13(18)15(12)21/h4-5,9-10,21H,3,6-8H2,1-2H3