methyl 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 4-fluoro-3-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]benzoate CAS Name: 3-[[3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxopropyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]benzoic acid methyl ester Formula: C20H26FN3O3 MolecularWeight: 375.437143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)F

InChI

InChI=1S/C20H26FN3O3/c1-12(2)11-24-14(4)16(13(3)23-24)7-9-19(25)22-18-10-15(20(26)27-5)6-8-17(18)21/h6,8,10,12H,7,9,11H2,1-5H3,(H,22,25)