5,6-dimethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 5,6-dimethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5,6-dimethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 5,6-dimethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5,6-dimethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5,6-dimethoxy-1-[3-(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C19H16F3NO4 MolecularWeight: 379.32985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N2CC3=CC(=CC=C3)C(F)(F)F)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N2CC3=CC(=CC=C3)C(F)(F)F)C(=O)O)OC

InChI

InChI=1S/C19H16F3NO4/c1-26-16-8-12-7-15(18(24)25)23(14(12)9-17(16)27-2)10-11-4-3-5-13(6-11)19(20,21)22/h3-9H,10H2,1-2H3,(H,24,25)