(2R,4R)-4-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: (2R,4R)-4-(2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: (2R,4R)-2-(4-hydroxybutoxy)-4-(2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: (2R,4R)-2-(4-hydroxybutoxy)-4-(2-methyl-5-oxo-1-phenyl-3-pyrazolyl)-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: (2R,4R)-2-(4-hydroxybutoxy)-4-(2-methyl-5-oxo-1-phenylpyrazol-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: (2R,4R)-2-(4-hydroxybutoxy)-4-(5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N1C2=CC=CC=C2)C3CC(OC(=C3)C(=O)O)OCCCCO

Isomeric SMILES

CN1C(=CC(=O)N1C2=CC=CC=C2)[C@@H]3C[C@@H](OC(=C3)C(=O)O)OCCCCO

InChI

InChI=1S/C20H24N2O6/c1-21-16(13-18(24)22(21)15-7-3-2-4-8-15)14-11-17(20(25)26)28-19(12-14)27-10-6-5-9-23/h2-4,7-8,11,13-14,19,23H,5-6,9-10,12H2,1H3,(H,25,26)/t14-,19+/m0/s1