2-[3-phenanthren-9-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[3-phenanthren-9-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanoic acid Openeye Name: 2-[3-(9-phenanthryl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid CAS Name: 2-[3-(9-phenanthrenyl)-1-[3-(trifluoromethyl)phenyl]-4-pyrazolyl]acetic acid IUPAC Name: 2-[3-phenanthren-9-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetic acid Traditional Name: 2-[3-(9-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=C(C3=CC=CC=C23)C4=NN(C=C4CC(=O)O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C4=NN(C=C4CC(=O)O)C5=CC=CC(=C5)C(F)(F)F

InChI

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