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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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