2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(2-phenanthryl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid CAS Name: 2-[3-(2-phenanthrenyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]acetic acid IUPAC Name: 2-[3-phenanthren-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid Traditional Name: 2-[3-(2-phenanthryl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid Formula: C26H17F3N2O2 MolecularWeight: 446.42059

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=NN(C=C4CC(=O)O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=NN(C=C4CC(=O)O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C26H17F3N2O2/c27-26(28,29)20-5-3-6-21(14-20)31-15-19(13-24(32)33)25(30-31)18-10-11-23-17(12-18)9-8-16-4-1-2-7-22(16)23/h1-12,14-15H,13H2,(H,32,33)