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

Systemtic Name: 2-[3-[3-[2-ethyl-4-(1-methylpyrazol-4-yl)-5-phenylmethoxy-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[5-benzyloxy-2-ethyl-4-(1-methylpyrazol-4-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-4-(1-methyl-4-pyrazolyl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-4-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-[5-benzoxy-2-ethyl-4-(1-methylpyrazol-4-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Formula: C38H40N2O6 MolecularWeight: 620.734

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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=CN(N=C4)C)CC)OC5=CC=CC=C5C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C38H40N2O6/c1-4-13-30-33(18-11-19-34(30)46-35-17-10-9-16-31(35)38(41)42)43-20-12-21-44-36-23-37(45-26-27-14-7-6-8-15-27)32(22-28(36)5-2)29-24-39-40(3)25-29/h6-11,14-19,22-25H,4-5,12-13,20-21,26H2,1-3H3,(H,41,42)