[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate

Systemtic Name: [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-[(3S,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-[(3S,5R)-3,5-dimethylpiperidino]-2-keto-ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC)C

InChI

InChI=1S/C18H24BrNO5/c1-11-5-12(2)9-20(8-11)16(21)10-25-18(22)13-6-14(23-3)17(19)15(7-13)24-4/h6-7,11-12H,5,8-10H2,1-4H3/t11-,12+