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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

InChI

InChI=1S/C18H24BrNO5/c1-4-13-7-5-6-8-20(13)16(21)11-25-18(22)12-9-14(23-2)17(19)15(10-12)24-3/h9-10,13H,4-8,11H2,1-3H3/t13-/m0/s1