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

Systemtic Name: methyl 3-[[4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]benzoate Openeye Name: methyl 3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]benzoate CAS Name: 3-[[1,4-dioxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]oxymethyl]benzoate Traditional Name: 3-[[4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC(=O)CCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-28-22(27)18-9-5-6-16(14-18)15-29-21(26)11-10-20(25)24-13-12-19(23-24)17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3