(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-bromanyl-5-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-benzyloxy-3-bromo-5-methoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-phenylmethoxybenzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-bromo-5-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-bromo-5-methoxy-benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)N2CCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24BrNO5/c1-27-19-13-17(22(26)29-15-20(25)24-10-6-3-7-11-24)12-18(23)21(19)28-14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13H,3,6-7,10-11,14-15H2,1H3