[3-(4-cyclopentyloxy-2-fluoranyl-phenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid

Systemtic Name: [3-(4-cyclopentyloxy-2-fluoranyl-phenyl)-1-(triphenylmethyl)pyrazol-4-yl]boronic acid Openeye Name: [3-[4-(cyclopentoxy)-2-fluoro-phenyl]-1-trityl-pyrazol-4-yl]boronic acid CAS Name: [3-(4-cyclopentyloxy-2-fluorophenyl)-1-(triphenylmethyl)-4-pyrazolyl]boronic acid IUPAC Name: [3-(4-cyclopentyloxy-2-fluorophenyl)-1-tritylpyrazol-4-yl]boronic acid Traditional Name: [3-[4-(cyclopentoxy)-2-fluoro-phenyl]-1-trityl-pyrazol-4-yl]boronic acid Formula: C33H30BFN2O3 MolecularWeight: 532.412303

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CN(N=C1C2=C(C=C(C=C2)OC3CCCC3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(O)O

Isomeric SMILES

B(C1=CN(N=C1C2=C(C=C(C=C2)OC3CCCC3)F)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(O)O

InChI

InChI=1S/C33H30BFN2O3/c35-31-22-28(40-27-18-10-11-19-27)20-21-29(31)32-30(34(38)39)23-37(36-32)33(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,12-17,20-23,27,38-39H,10-11,18-19H2