methyl 5-oxidanyl-8-(phenylmethyl)-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylate

Systemtic Name: methyl 5-oxidanyl-8-(phenylmethyl)-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylate Openeye Name: methyl 8-benzyl-5-hydroxy-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylate CAS Name: 5-hydroxy-8-(phenylmethyl)-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylic acid methyl ester IUPAC Name: methyl 8-benzyl-5-hydroxy-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylate Traditional Name: 8-benzyl-5-hydroxy-7-[4-(trifluoromethyl)phenyl]-9H-carbazole-4-carboxylic acid methyl ester Formula: C28H20F3NO3 MolecularWeight: 475.45851

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)NC3=C(C(=CC(=C23)O)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)NC3=C(C(=CC(=C23)O)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=CC=C5

InChI

InChI=1S/C28H20F3NO3/c1-35-27(34)19-8-5-9-22-24(19)25-23(33)15-20(17-10-12-18(13-11-17)28(29,30)31)21(26(25)32-22)14-16-6-3-2-4-7-16/h2-13,15,32-33H,14H2,1H3