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

Systemtic Name: 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-ethyl-5-[oxo-[2-(trifluoromethyl)butylamino]methyl]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C25H27F3N2O4 MolecularWeight: 476.48809

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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)CC)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)CC)C(F)(F)F

InChI

InChI=1S/C25H27F3N2O4/c1-4-19(25(26,27)28)13-29-23(31)16-8-9-21-20(11-16)18(14-30(21)5-2)10-15-6-7-17(24(32)33)12-22(15)34-3/h6-9,11-12,14,19H,4-5,10,13H2,1-3H3,(H,29,31)(H,32,33)