4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(2,6-dimethoxyphenyl)-4,6-bis(trifluoromethyl)-1H-indol-3-yl]butylamine Formula: C22H22F6N2O2 MolecularWeight: 460.412699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C2=C(C3=C(C=C(C=C3N2)C(F)(F)F)C(F)(F)F)CCCCN

InChI

InChI=1S/C22H22F6N2O2/c1-31-16-7-5-8-17(32-2)19(16)20-13(6-3-4-9-29)18-14(22(26,27)28)10-12(21(23,24)25)11-15(18)30-20/h5,7-8,10-11,30H,3-4,6,9,29H2,1-2H3