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

Systemtic Name: 7-oxidanylidene-5-(4-phenylmethoxyphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Openeye Name: 6-allyl-5-(4-benzyloxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid CAS Name: 7-oxo-5-(4-phenylmethoxyphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid IUPAC Name: 7-oxo-5-(4-phenylmethoxyphenyl)-6-prop-2-enyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Traditional Name: 6-allyl-5-(4-benzoxyphenyl)-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C=CCC1=C(N=C2C(=CNN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O4/c1-2-6-18-20(25-21-19(23(28)29)13-24-26(21)22(18)27)16-9-11-17(12-10-16)30-14-15-7-4-3-5-8-15/h2-5,7-13,24H,1,6,14H2,(H,28,29)