2-[2-[4-[4-(diphenylmethyl)pyrazol-1-yl]butyl]phenoxy]ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCCC4=CC=CC=C4OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCCC4=CC=CC=C4OCC(=O)O

InChI

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