[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate Openeye Name: [2-(isopentylcarbamoylamino)-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 [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 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-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)CCC(=O)N1CCC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C21H28N4O5/c1-15(2)10-12-22-21(29)23-18(26)14-30-20(28)9-8-19(27)25-13-11-17(24-25)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,22,23,26,29)