methyl 2-methyl-5-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]furan-3-carboxylate CAS Name: 5-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butoxy]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]furan-3-carboxylate Traditional Name: 5-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-14-17(21(26)27-2)12-16(29-14)13-28-20(25)9-8-19(24)23-11-10-18(22-23)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3