(2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 4-[[2,6-bis(bromanyl)-4-methyl-phenoxy]methyl]benzoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoate CAS Name: 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 4-[(2,6-dibromo-4-methylphenoxy)methyl]benzoate Traditional Name: 4-[(2,6-dibromo-4-methyl-phenoxy)methyl]benzoic acid (2-keto-2-piperidino-ethyl) ester Formula: C22H23Br2NO4 MolecularWeight: 525.23032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCC3)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)C(=O)OCC(=O)N3CCCCC3)Br

InChI

InChI=1S/C22H23Br2NO4/c1-15-11-18(23)21(19(24)12-15)28-13-16-5-7-17(8-6-16)22(27)29-14-20(26)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13-14H2,1H3