[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C21H21Br2NO4 MolecularWeight: 511.20374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC(=C3O)Br)Br

InChI

InChI=1S/C21H21Br2NO4/c22-16-11-17(20(26)18(23)12-16)21(27)28-13-19(25)24-8-6-15(7-9-24)10-14-4-2-1-3-5-14/h1-5,11-12,15,26H,6-10,13H2