1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-phenylmethoxy-indole-3-carboxylic acid

Systemtic Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-phenylmethoxy-indole-3-carboxylic acid Openeye Name: 5-benzyloxy-1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-methyl-indole-3-carboxylic acid CAS Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-phenylmethoxy-3-indolecarboxylic acid IUPAC Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-phenylmethoxyindole-3-carboxylic acid Traditional Name: 5-benzoxy-1-[2,4-bis(trifluoromethyl)benzyl]-2-methyl-indole-3-carboxylic acid Formula: C26H19F6NO3 MolecularWeight: 507.424379

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F)C=CC(=C2)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H19F6NO3/c1-15-23(24(34)35)20-12-19(36-14-16-5-3-2-4-6-16)9-10-22(20)33(15)13-17-7-8-18(25(27,28)29)11-21(17)26(30,31)32/h2-12H,13-14H2,1H3,(H,34,35)