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

Systemtic Name: methyl 4-(4-acetamidophenoxy)-2,3,5-tris(fluoranyl)-6-pyrrolidin-1-yl-benzoate Openeye Name: methyl 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-pyrrolidin-1-yl-benzoate CAS Name: 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-pyrrolidin-1-ylbenzoate Traditional Name: 4-(4-acetamidophenoxy)-2,3,5-trifluoro-6-pyrrolidino-benzoic acid methyl ester Formula: C20H19F3N2O4 MolecularWeight: 408.37107

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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)N3CCCC3)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC2=C(C(=C(C(=C2F)F)C(=O)OC)N3CCCC3)F

InChI

InChI=1S/C20H19F3N2O4/c1-11(26)24-12-5-7-13(8-6-12)29-19-16(22)15(21)14(20(27)28-2)18(17(19)23)25-9-3-4-10-25/h5-8H,3-4,9-10H2,1-2H3,(H,24,26)