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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]-3-methoxy-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-methoxy-indole-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-methoxy-2-indolecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-5-hydroxy-3-methoxyindole-2-carboxylic acid Traditional Name: 1-[4-chloro-3-(trifluoromethyl)benzyl]-5-hydroxy-3-methoxy-indole-2-carboxylic acid Formula: C18H13ClF3NO4 MolecularWeight: 399.74833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N(C2=C1C=C(C=C2)O)CC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

COC1=C(N(C2=C1C=C(C=C2)O)CC3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H13ClF3NO4/c1-27-16-11-7-10(24)3-5-14(11)23(15(16)17(25)26)8-9-2-4-13(19)12(6-9)18(20,21)22/h2-7,24H,8H2,1H3,(H,25,26)