6-(3-methylbut-2-enyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Systemtic Name: 6-(3-methylbut-2-enyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(3-methylbut-2-enyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-(3-methylbut-2-enyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-(3-methylbut-2-enyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-keto-6-(3-methylbut-2-enyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(N=C2C=C(NN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC(=CCC1=C(N=C2C=C(NN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O4/c1-16(2)8-13-20-23(26-22-14-21(25(30)31)27-28(22)24(20)29)18-9-11-19(12-10-18)32-15-17-6-4-3-5-7-17/h3-12,14,27H,13,15H2,1-2H3,(H,30,31)