methyl 5-oxidanyl-7-pentyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate

Systemtic Name: methyl 5-oxidanyl-7-pentyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate Openeye Name: methyl 5-hydroxy-7-pentyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate CAS Name: 5-hydroxy-7-pentyl-9-[[2-(trifluoromethyl)phenyl]methyl]-4-carbazolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-pentyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate Traditional Name: 7-amyl-5-hydroxy-9-[2-(trifluoromethyl)benzyl]carbazole-4-carboxylic acid methyl ester Formula: C27H26F3NO3 MolecularWeight: 469.49545

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCCCC1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC=CC=C4C(F)(F)F)C(=O)OC

InChI

InChI=1S/C27H26F3NO3/c1-3-4-5-9-17-14-22-25(23(32)15-17)24-19(26(33)34-2)11-8-13-21(24)31(22)16-18-10-6-7-12-20(18)27(28,29)30/h6-8,10-15,32H,3-5,9,16H2,1-2H3