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

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-bromanyl-3,5-dimethoxy-benzoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 4-bromo-3,5-dimethoxy-benzoate CAS Name: 4-bromo-3,5-dimethoxybenzoic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate Traditional Name: 4-bromo-3,5-dimethoxy-benzoic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=CC(=C(C(=C2)OC)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO5/c1-11-5-4-6-19(9-11)15(20)10-24-17(21)12-7-13(22-2)16(18)14(8-12)23-3/h7-8,11H,4-6,9-10H2,1-3H3/t11-/m0/s1