[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrNO3/c1-11-6-12(2)9-18(8-11)15(19)10-21-16(20)13-4-3-5-14(17)7-13/h3-5,7,11-12H,6,8-10H2,1-2H3