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

Systemtic Name: 5-acetyloxy-1-[[4-chloranyl-3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5-acetoxy-1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 5-acetyloxy-1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5-acetyloxy-1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5-acetoxy-1-[4-chloro-3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C19H13ClF3NO4 MolecularWeight: 411.75903

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C19H13ClF3NO4/c1-10(25)28-13-3-5-16-12(7-13)8-17(18(26)27)24(16)9-11-2-4-15(20)14(6-11)19(21,22)23/h2-8H,9H2,1H3,(H,26,27)