6-[4-(diphenylmethyl)pyrazol-1-yl]-2-phenoxy-hexanoic acid

Systemtic Name: 6-[4-(diphenylmethyl)pyrazol-1-yl]-2-phenoxy-hexanoic acid Openeye Name: 6-(4-benzhydrylpyrazol-1-yl)-2-phenoxy-hexanoic acid CAS Name: 6-[4-(diphenylmethyl)-1-pyrazolyl]-2-phenoxyhexanoic acid IUPAC Name: 6-(4-benzhydrylpyrazol-1-yl)-2-phenoxyhexanoic acid Traditional Name: 6-(4-benzhydrylpyrazol-1-yl)-2-phenoxy-hexanoic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCCC(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCCC(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c31-28(32)26(33-25-16-8-3-9-17-25)18-10-11-19-30-21-24(20-29-30)27(22-12-4-1-5-13-22)23-14-6-2-7-15-23/h1-9,12-17,20-21,26-27H,10-11,18-19H2,(H,31,32)