[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C18H24BrNO5 MolecularWeight: 414.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C18H24BrNO5/c1-12-5-4-6-20(10-12)17(21)11-25-18(22)8-13-7-15(23-2)16(24-3)9-14(13)19/h7,9,12H,4-6,8,10-11H2,1-3H3/t12-/m0/s1