methyl 4-[2-oxidanyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]benzoate CAS Name: 4-[2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propoxy]benzoic acid methyl ester Formula: C19H20F3NO4 MolecularWeight: 383.36161

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C19H20F3NO4/c1-26-18(25)14-5-7-17(8-6-14)27-12-16(24)11-23-10-13-3-2-4-15(9-13)19(20,21)22/h2-9,16,23-24H,10-12H2,1H3