3-(3,5-ditert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-(3,5-ditert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Openeye Name: 3-(3,5-ditert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid CAS Name: 3-(3,5-ditert-butyl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-(3,5-ditert-butyl-4-ethoxyphenyl)-1H-pyrazole-5-carboxylic acid Traditional Name: 3-(3,5-ditert-butyl-4-ethoxy-phenyl)-1H-pyrazole-5-carboxylic acid Formula: C20H28N2O3 MolecularWeight: 344.44792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C(C)(C)C)C2=NNC(=C2)C(=O)O)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C(C)(C)C)C2=NNC(=C2)C(=O)O)C(C)(C)C

InChI

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