3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]benzoic acid

Systemtic Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[oxo-[2-(trifluoromethyl)butylamino]methyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]benzoic acid Formula: C24H25F3N2O4 MolecularWeight: 462.46151

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C)C(F)(F)F

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)N(C=C2CC3=C(C=C(C=C3)C(=O)O)OC)C)C(F)(F)F

InChI

InChI=1S/C24H25F3N2O4/c1-4-18(24(25,26)27)12-28-22(30)15-7-8-20-19(10-15)17(13-29(20)2)9-14-5-6-16(23(31)32)11-21(14)33-3/h5-8,10-11,13,18H,4,9,12H2,1-3H3,(H,28,30)(H,31,32)