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

Systemtic Name: 6-(2-methoxyethyl)-7-oxidanylidene-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Openeye Name: 5-(4-benzyloxyphenyl)-6-(2-methoxyethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid CAS Name: 6-(2-methoxyethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid IUPAC Name: 6-(2-methoxyethyl)-7-oxo-5-(4-phenylmethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Traditional Name: 5-(4-benzoxyphenyl)-7-keto-6-(2-methoxyethyl)-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(N=C2C=C(NN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COCCC1=C(N=C2C=C(NN2C1=O)C(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5/c1-30-12-11-18-21(24-20-13-19(23(28)29)25-26(20)22(18)27)16-7-9-17(10-8-16)31-14-15-5-3-2-4-6-15/h2-10,13,25H,11-12,14H2,1H3,(H,28,29)