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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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