2-[2-[3-[1-(5-bromanylpyridin-2-yl)-3-pentan-3-yl-pyrazol-4-yl]propoxy]-3-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[2-[3-[1-(5-bromanylpyridin-2-yl)-3-pentan-3-yl-pyrazol-4-yl]propoxy]-3-methoxy-phenyl]ethanoic acid Openeye Name: 2-[2-[3-[1-(5-bromo-2-pyridyl)-3-(1-ethylpropyl)pyrazol-4-yl]propoxy]-3-methoxy-phenyl]acetic acid CAS Name: 2-[2-[3-[1-(5-bromo-2-pyridinyl)-3-pentan-3-yl-4-pyrazolyl]propoxy]-3-methoxyphenyl]acetic acid IUPAC Name: 2-[2-[3-[1-(5-bromopyridin-2-yl)-3-pentan-3-ylpyrazol-4-yl]propoxy]-3-methoxyphenyl]acetic acid Traditional Name: 2-[2-[3-[1-(5-bromo-2-pyridyl)-3-(1-ethylpropyl)pyrazol-4-yl]propoxy]-3-methoxy-phenyl]acetic acid Formula: C25H30BrN3O4 MolecularWeight: 516.4274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN(C=C1CCCOC2=C(C=CC=C2OC)CC(=O)O)C3=NC=C(C=C3)Br

Isomeric SMILES

CCC(CC)C1=NN(C=C1CCCOC2=C(C=CC=C2OC)CC(=O)O)C3=NC=C(C=C3)Br

InChI

InChI=1S/C25H30BrN3O4/c1-4-17(5-2)24-19(16-29(28-24)22-12-11-20(26)15-27-22)9-7-13-33-25-18(14-23(30)31)8-6-10-21(25)32-3/h6,8,10-12,15-17H,4-5,7,9,13-14H2,1-3H3,(H,30,31)