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

Systemtic Name: 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-(4-benzyloxyphenyl)-7-isopropyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-(4-phenylmethoxyphenyl)-7-propan-2-yl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid IUPAC Name: 6-(4-phenylmethoxyphenyl)-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-(4-benzoxyphenyl)-7-isopropyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)C1=C(C=NC2=C(C=NN12)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O3/c1-15(2)21-19(12-24-22-20(23(27)28)13-25-26(21)22)17-8-10-18(11-9-17)29-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,27,28)