3-[2-(2-methylphenyl)-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propanoic acid

Systemtic Name: 3-[2-(2-methylphenyl)-5-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propanoic acid Openeye Name: 3-[2-(o-tolyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propanoic acid CAS Name: 3-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propanoic acid IUPAC Name: 3-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propanoic acid Traditional Name: 3-[5-keto-2-(o-tolyl)-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]propionic acid Formula: C16H17N3O3 MolecularWeight: 299.32448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN3CCC(=O)N(C3=C2)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=NN3CCC(=O)N(C3=C2)CCC(=O)O

InChI

InChI=1S/C16H17N3O3/c1-11-4-2-3-5-12(11)13-10-14-18(8-7-16(21)22)15(20)6-9-19(14)17-13/h2-5,10H,6-9H2,1H3,(H,21,22)