tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]carbonyl-indole-2-carboxylate

Systemtic Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)phenyl]carbonyl-indole-2-carboxylate Openeye Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)benzoyl]indole-2-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-[oxo-[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)benzoyl]indole-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-[3-(trifluoromethyl)benzoyl]indole-2-carboxylic acid tert-butyl ester Formula: C28H24F3NO4 MolecularWeight: 495.48967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C2=CC=CC=C2N1C(=O)C3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C28H24F3NO4/c1-27(2,3)36-26(34)24-23(17-12-14-20(35-4)15-13-17)21-10-5-6-11-22(21)32(24)25(33)18-8-7-9-19(16-18)28(29,30)31/h5-16H,1-4H3