2-[3-[4-[4-(diphenylmethyl)pyrazol-1-yl]butyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[4-[4-(diphenylmethyl)pyrazol-1-yl]butyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[4-(4-benzhydrylpyrazol-1-yl)butyl]phenoxy]acetic acid CAS Name: 2-[3-[4-[4-(diphenylmethyl)-1-pyrazolyl]butyl]phenoxy]acetic acid IUPAC Name: 2-[3-[4-(4-benzhydrylpyrazol-1-yl)butyl]phenoxy]acetic acid Traditional Name: 2-[3-[4-(4-benzhydrylpyrazol-1-yl)butyl]phenoxy]acetic 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)CCCCC4=CC(=CC=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCCC4=CC(=CC=C4)OCC(=O)O

InChI

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