6-(4-fluorophenyl)-3-methyl-4,5-bis(oxidanyl)-1-phenoxy-indole-2-carboxylic acid

Systemtic Name: 6-(4-fluorophenyl)-3-methyl-4,5-bis(oxidanyl)-1-phenoxy-indole-2-carboxylic acid Openeye Name: 6-(4-fluorophenyl)-4,5-dihydroxy-3-methyl-1-phenoxy-indole-2-carboxylic acid CAS Name: 6-(4-fluorophenyl)-4,5-dihydroxy-3-methyl-1-phenoxy-2-indolecarboxylic acid IUPAC Name: 6-(4-fluorophenyl)-4,5-dihydroxy-3-methyl-1-phenoxyindole-2-carboxylic acid Traditional Name: 6-(4-fluorophenyl)-4,5-dihydroxy-3-methyl-1-phenoxy-indole-2-carboxylic acid Formula: C22H16FNO5 MolecularWeight: 393.364543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=C(C(=C2)C3=CC=C(C=C3)F)O)O)OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C(=C(C(=C2)C3=CC=C(C=C3)F)O)O)OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H16FNO5/c1-12-18-17(24(19(12)22(27)28)29-15-5-3-2-4-6-15)11-16(20(25)21(18)26)13-7-9-14(23)10-8-13/h2-11,25-26H,1H3,(H,27,28)