methyl 4-(4-bromanylphenoxy)-2,3,5-tris(fluoranyl)-6-piperidin-1-yl-benzoate

Systemtic Name: methyl 4-(4-bromanylphenoxy)-2,3,5-tris(fluoranyl)-6-piperidin-1-yl-benzoate Openeye Name: methyl 4-(4-bromophenoxy)-2,3,5-trifluoro-6-(1-piperidyl)benzoate CAS Name: 4-(4-bromophenoxy)-2,3,5-trifluoro-6-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-bromophenoxy)-2,3,5-trifluoro-6-piperidin-1-ylbenzoate Traditional Name: 4-(4-bromophenoxy)-2,3,5-trifluoro-6-piperidino-benzoic acid methyl ester Formula: C19H17BrF3NO3 MolecularWeight: 444.24239

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C(=C1F)F)OC2=CC=C(C=C2)Br)F)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C(=C(C(=C1F)F)OC2=CC=C(C=C2)Br)F)N3CCCCC3

InChI

InChI=1S/C19H17BrF3NO3/c1-26-19(25)13-14(21)15(22)18(27-12-7-5-11(20)6-8-12)16(23)17(13)24-9-3-2-4-10-24/h5-8H,2-4,9-10H2,1H3