3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: 3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 3-ethyl-1-(4-fluorophenyl)-2-(1H-indazol-6-yl)cyclohex-3-ene-1-carboxylic acid Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCCC(C1C2=CC3=C(C=C2)C=NN3)(C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CCC1=CCCC(C1C2=CC3=C(C=C2)C=NN3)(C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C22H21FN2O2/c1-2-14-4-3-11-22(21(26)27,17-7-9-18(23)10-8-17)20(14)15-5-6-16-13-24-25-19(16)12-15/h4-10,12-13,20H,2-3,11H2,1H3,(H,24,25)(H,26,27)