2-[3-[3-[2-ethyl-5-phenylmethoxy-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid

Systemtic Name: 2-[3-[3-[2-ethyl-5-phenylmethoxy-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[5-benzyloxy-2-ethyl-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-phenylmethoxy-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-5-phenylmethoxy-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-[5-benzoxy-2-ethyl-4-(1H-pyrazol-5-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Formula: C37H38N2O6 MolecularWeight: 606.70742

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C4=CC=NN4)CC)OC5=CC=CC=C5C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)OCC3=CC=CC=C3)C4=CC=NN4)CC)OC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C37H38N2O6/c1-3-12-28-32(17-10-18-33(28)45-34-16-9-8-15-29(34)37(40)41)42-21-11-22-43-35-24-36(44-25-26-13-6-5-7-14-26)30(23-27(35)4-2)31-19-20-38-39-31/h5-10,13-20,23-24H,3-4,11-12,21-22,25H2,1-2H3,(H,38,39)(H,40,41)