3-[3-(imidazol-1-ylmethyl)-6-(trifluoromethyl)indol-1-yl]propanoic acid

Systemtic Name: 3-[3-(imidazol-1-ylmethyl)-6-(trifluoromethyl)indol-1-yl]propanoic acid Openeye Name: 3-[3-(imidazol-1-ylmethyl)-6-(trifluoromethyl)indol-1-yl]propanoic acid CAS Name: 3-[3-(1-imidazolylmethyl)-6-(trifluoromethyl)-1-indolyl]propanoic acid IUPAC Name: 3-[3-(imidazol-1-ylmethyl)-6-(trifluoromethyl)indol-1-yl]propanoic acid Traditional Name: 3-[3-(imidazol-1-ylmethyl)-6-(trifluoromethyl)indol-1-yl]propionic acid Formula: C16H14F3N3O2 MolecularWeight: 337.29647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N(C=C2CN3C=CN=C3)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N(C=C2CN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C16H14F3N3O2/c17-16(18,19)12-1-2-13-11(8-21-6-4-20-10-21)9-22(14(13)7-12)5-3-15(23)24/h1-2,4,6-7,9-10H,3,5,8H2,(H,23,24)