ethyl 1-[(4-methylphenyl)methyl]-5-[4-(trifluoromethyloxy)phenyl]indole-2-carboxylate

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-5-[4-(trifluoromethyloxy)phenyl]indole-2-carboxylate Openeye Name: ethyl 1-(p-tolylmethyl)-5-[4-(trifluoromethoxy)phenyl]indole-2-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-methylphenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole-2-carboxylate Traditional Name: 1-(4-methylbenzyl)-5-[4-(trifluoromethoxy)phenyl]indole-2-carboxylic acid ethyl ester Formula: C26H22F3NO3 MolecularWeight: 453.45299

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)C)C=CC(=C2)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)C)C=CC(=C2)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C26H22F3NO3/c1-3-32-25(31)24-15-21-14-20(19-8-11-22(12-9-19)33-26(27,28)29)10-13-23(21)30(24)16-18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3