3-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl]-5-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[[3-chloranyl-4-(trifluoromethyloxy)phenyl]methyl]-5-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 3-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxy-1H-indole-2-carboxylic acid CAS Name: 3-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 3-[[3-chloro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 3-[3-chloro-4-(trifluoromethoxy)benzyl]-5-hydroxy-1H-indole-2-carboxylic acid Formula: C17H11ClF3NO4 MolecularWeight: 385.72175

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1CC2=C(NC3=C2C=C(C=C3)O)C(=O)O)Cl)OC(F)(F)F

InChI

InChI=1S/C17H11ClF3NO4/c18-12-6-8(1-4-14(12)26-17(19,20)21)5-11-10-7-9(23)2-3-13(10)22-15(11)16(24)25/h1-4,6-7,22-23H,5H2,(H,24,25)