7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(4-benzyloxyphenyl)-7-isobutyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 7-(2-methylpropyl)-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-benzoxyphenyl)-7-isobutyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H23N3O3/c1-16(2)12-22-20(13-25-23-21(24(28)29)14-26-27(22)23)18-8-10-19(11-9-18)30-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,28,29)