2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid

Systemtic Name: 2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid Openeye Name: 2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid CAS Name: 2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]-3-indolecarboxylic acid IUPAC Name: 2-ethoxycarbonyl-1-[[3-(trifluoromethyl)phenyl]methyl]indole-3-carboxylic acid Traditional Name: 2-carbethoxy-1-[3-(trifluoromethyl)benzyl]indole-3-carboxylic acid Formula: C20H16F3NO4 MolecularWeight: 391.34055

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1CC3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C20H16F3NO4/c1-2-28-19(27)17-16(18(25)26)14-8-3-4-9-15(14)24(17)11-12-6-5-7-13(10-12)20(21,22)23/h3-10H,2,11H2,1H3,(H,25,26)