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

Systemtic Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl] ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4/c1-11-5-4-6-12(2)19(11)16(20)10-23-17(21)14-9-13(22-3)7-8-15(14)18/h7-9,11-12H,4-6,10H2,1-3H3/t11-,12-/m0/s1