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

Systemtic Name: methyl 4-(4-acetamidophenoxy)-2,3,5-tris(fluoranyl)-6-piperidin-1-yl-benzoate Openeye Name: methyl 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-(1-piperidyl)benzoate CAS Name: 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-(1-piperidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-piperidin-1-ylbenzoate Traditional Name: 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-piperidino-benzoic acid methyl ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC2=C(C(=C(C(=C2F)F)C(=O)OC)N3CCCCC3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=C(C(=C(C(=C2F)F)C(=O)OC)N3CCCCC3)F

InChI

InChI=1S/C21H21F3N2O4/c1-12(27)25-13-6-8-14(9-7-13)30-20-17(23)16(22)15(21(28)29-2)19(18(20)24)26-10-4-3-5-11-26/h6-9H,3-5,10-11H2,1-2H3,(H,25,27)