6-but-3-enyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Systemtic Name: 6-but-3-enyl-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-but-3-enyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 6-but-3-enyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 6-but-3-enyl-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-6-but-3-enyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C=CCCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H21N3O4/c1-2-3-9-19-21(26-22-20(24(29)30)14-25-27(22)23(19)28)17-10-12-18(13-11-17)31-15-16-7-5-4-6-8-16/h2,4-8,10-14,25H,1,3,9,15H2,(H,29,30)