tert-butyl 5-methoxy-2-[4-(trifluoromethyl)phenyl]indole-1-carboxylate

Systemtic Name: tert-butyl 5-methoxy-2-[4-(trifluoromethyl)phenyl]indole-1-carboxylate Openeye Name: tert-butyl 5-methoxy-2-[4-(trifluoromethyl)phenyl]indole-1-carboxylate CAS Name: 5-methoxy-2-[4-(trifluoromethyl)phenyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-methoxy-2-[4-(trifluoromethyl)phenyl]indole-1-carboxylate Traditional Name: 5-methoxy-2-[4-(trifluoromethyl)phenyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H20F3NO3 MolecularWeight: 391.38361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OC)C=C1C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO3/c1-20(2,3)28-19(26)25-17-10-9-16(27-4)11-14(17)12-18(25)13-5-7-15(8-6-13)21(22,23)24/h5-12H,1-4H3