[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoate CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H25ClN4O4 MolecularWeight: 420.8899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)NC(=O)NCCC(C)C)C)Cl

InChI

InChI=1S/C20H25ClN4O4/c1-12(2)9-10-22-20(28)23-17(26)11-29-19(27)15-5-7-16(8-6-15)25-14(4)18(21)13(3)24-25/h5-8,12H,9-11H2,1-4H3,(H2,22,23,26,28)