3-[3-methoxy-4-[(3-methoxyphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 3-[3-methoxy-4-[(3-methoxyphenyl)methyl]phenyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[3-methoxy-4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 3-[3-methoxy-4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 3-[3-methoxy-4-[(3-methoxyphenyl)methyl]phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 7-keto-3-(4-m-anisyl-3-methoxy-phenyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=C(C=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CC2=C(C=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(=O)O)OC

InChI

InChI=1S/C22H19N3O5/c1-29-16-5-3-4-13(9-16)8-15-7-6-14(10-19(15)30-2)17-12-24-25-20(17)23-11-18(21(25)26)22(27)28/h3-7,9-12,24H,8H2,1-2H3,(H,27,28)