3-[3,5-di(butan-2-yl)-4-ethoxy-phenyl]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[3,5-di(butan-2-yl)-4-ethoxy-phenyl]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(4-ethoxy-3,5-disec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-[3,5-di(butan-2-yl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[3,5-di(butan-2-yl)-4-ethoxyphenyl]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(4-ethoxy-3,5-disec-butyl-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H28N2O3 MolecularWeight: 344.44792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OCC)C(C)CC)C2=NNC(=C2)C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OCC)C(C)CC)C2=NNC(=C2)C(=O)O

InChI

InChI=1S/C20H28N2O3/c1-6-12(4)15-9-14(17-11-18(20(23)24)22-21-17)10-16(13(5)7-2)19(15)25-8-3/h9-13H,6-8H2,1-5H3,(H,21,22)(H,23,24)