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

Systemtic Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 5-benzyloxy-1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 5-benzoxy-1-[2,4-bis(trifluoromethyl)benzyl]indole-2-carboxylic acid Formula: C25H17F6NO3 MolecularWeight: 493.397799

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)N(C(=C3)C(=O)O)CC4=C(C=C(C=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C25H17F6NO3/c26-24(27,28)18-7-6-16(20(12-18)25(29,30)31)13-32-21-9-8-19(10-17(21)11-22(32)23(33)34)35-14-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,33,34)