methyl 5-oxidanyl-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxylate

Systemtic Name: methyl 5-oxidanyl-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxylate Openeye Name: methyl 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxylate CAS Name: 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-8-[[3-(trifluoromethyl)phenyl]methyl]-9H-carbazole-4-carboxylate Traditional Name: 5-hydroxy-8-[3-(trifluoromethyl)benzyl]-9H-carbazole-4-carboxylic acid methyl ester Formula: C22H16F3NO3 MolecularWeight: 399.36255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC3=C(C=CC(=C23)O)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC3=C(C=CC(=C23)O)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3NO3/c1-29-21(28)15-6-3-7-16-18(15)19-17(27)9-8-13(20(19)26-16)10-12-4-2-5-14(11-12)22(23,24)25/h2-9,11,26-27H,10H2,1H3