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

Systemtic Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)hexylcarbamoyl]indol-3-yl]methyl]benzoic acid Openeye Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)hexylcarbamoyl]indol-3-yl]methyl]benzoic acid CAS Name: 3-methoxy-4-[[1-methyl-5-[oxo-[2-(trifluoromethyl)hexylamino]methyl]-3-indolyl]methyl]benzoic acid IUPAC Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)hexylcarbamoyl]indol-3-yl]methyl]benzoic acid Traditional Name: 3-methoxy-4-[[1-methyl-5-[2-(trifluoromethyl)hexylcarbamoyl]indol-3-yl]methyl]benzoic acid Formula: C26H29F3N2O4 MolecularWeight: 490.51467

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(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

CCCCC(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/C26H29F3N2O4/c1-4-5-6-20(26(27,28)29)14-30-24(32)17-9-10-22-21(12-17)19(15-31(22)2)11-16-7-8-18(25(33)34)13-23(16)35-3/h7-10,12-13,15,20H,4-6,11,14H2,1-3H3,(H,30,32)(H,33,34)