methyl 5-oxidanyl-7-propan-2-yl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate

Systemtic Name: methyl 5-oxidanyl-7-propan-2-yl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate Openeye Name: methyl 5-hydroxy-7-isopropyl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate CAS Name: 5-hydroxy-7-propan-2-yl-9-[[3-(trifluoromethyl)phenyl]methyl]-4-carbazolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-7-propan-2-yl-9-[[3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxylate Traditional Name: 5-hydroxy-7-isopropyl-9-[3-(trifluoromethyl)benzyl]carbazole-4-carboxylic acid methyl ester Formula: C25H22F3NO3 MolecularWeight: 441.44229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)C1=CC2=C(C(=C1)O)C3=C(C=CC=C3N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C25H22F3NO3/c1-14(2)16-11-20-23(21(30)12-16)22-18(24(31)32-3)8-5-9-19(22)29(20)13-15-6-4-7-17(10-15)25(26,27)28/h4-12,14,30H,13H2,1-3H3