ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate

Systemtic Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate Openeye Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate CAS Name: 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethylsulfonyloxy)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-tert-butylphenyl)-1-[(3-methoxyphenyl)methyl]-5-(trifluoromethylsulfonyloxy)indole-2-carboxylate Traditional Name: 3-(4-tert-butylphenyl)-1-m-anisyl-5-triflyloxy-indole-2-carboxylic acid ethyl ester Formula: C30H30F3NO6S MolecularWeight: 589.62251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)OS(=O)(=O)C(F)(F)F)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)OS(=O)(=O)C(F)(F)F)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C30H30F3NO6S/c1-6-39-28(35)27-26(20-10-12-21(13-11-20)29(2,3)4)24-17-23(40-41(36,37)30(31,32)33)14-15-25(24)34(27)18-19-8-7-9-22(16-19)38-5/h7-17H,6,18H2,1-5H3