2-[6-chloranyl-2-methyl-5-oxidanyl-1-[4-(trifluoromethyloxy)phenyl]carbonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-2-methyl-5-oxidanyl-1-[4-(trifluoromethyloxy)phenyl]carbonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid CAS Name: 2-[6-chloro-5-hydroxy-2-methyl-1-[oxo-[4-(trifluoromethoxy)phenyl]methyl]-3-indolyl]acetic acid IUPAC Name: 2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid Traditional Name: 2-[6-chloro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid Formula: C19H13ClF3NO5 MolecularWeight: 427.75843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CC=C(C=C3)OC(F)(F)F)Cl)O)CC(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1C(=O)C3=CC=C(C=C3)OC(F)(F)F)Cl)O)CC(=O)O

InChI

InChI=1S/C19H13ClF3NO5/c1-9-12(7-17(26)27)13-6-16(25)14(20)8-15(13)24(9)18(28)10-2-4-11(5-3-10)29-19(21,22)23/h2-6,8,25H,7H2,1H3,(H,26,27)