[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate CAS Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyric acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC(=O)NC)OC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H22N4O5/c1-12(17(25)20-18(26)19-2)27-16(24)9-8-15(23)22-11-10-14(21-22)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H2,19,20,25,26)