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

Systemtic Name: methyl 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoate CAS Name: 4-[[1-ethyl-5-[oxo-[2-(trifluoromethyl)butylamino]methyl]-3-indolyl]methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[1-ethyl-5-[2-(trifluoromethyl)butylcarbamoyl]indol-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C26H29F3N2O4 MolecularWeight: 490.51467

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

InChI

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