4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(2,4-dimethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]butylamine Formula: C21H23F3N2O3 MolecularWeight: 408.41413

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CCCCN)OC

InChI

InChI=1S/C21H23F3N2O3/c1-27-13-6-8-16(19(12-13)28-2)20-15(5-3-4-10-25)17-11-14(29-21(22,23)24)7-9-18(17)26-20/h6-9,11-12,26H,3-5,10,25H2,1-2H3