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

Systemtic Name: 2-[3-[3-[2-ethyl-4-(1-methylpyrazol-4-yl)-5-oxidanyl-phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Openeye Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-methylpyrazol-4-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid CAS Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-methyl-4-pyrazolyl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid IUPAC Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-methylpyrazol-4-yl)phenoxy]propoxy]-2-propylphenoxy]benzoic acid Traditional Name: 2-[3-[3-[2-ethyl-5-hydroxy-4-(1-methylpyrazol-4-yl)phenoxy]propoxy]-2-propyl-phenoxy]benzoic acid Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CN(N=C3)C)CC)OC4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C=CC=C1OCCCOC2=C(C=C(C(=C2)O)C3=CN(N=C3)C)CC)OC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H34N2O6/c1-4-10-23-27(13-8-14-28(23)39-29-12-7-6-11-24(29)31(35)36)37-15-9-16-38-30-18-26(34)25(17-21(30)5-2)22-19-32-33(3)20-22/h6-8,11-14,17-20,34H,4-5,9-10,15-16H2,1-3H3,(H,35,36)