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

Systemtic Name: methyl 5-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]-2-fluoranyl-benzoate Openeye Name: methyl 2-fluoro-5-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoate CAS Name: 5-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]-2-fluorobenzoic acid methyl ester IUPAC Name: methyl 5-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-2-fluorobenzoate Traditional Name: 2-fluoro-5-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoic acid methyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FN3O3/c1-11(2)10-23-13(4)15(12(3)22-23)9-18(24)21-14-6-7-17(20)16(8-14)19(25)26-5/h6-8,11H,9-10H2,1-5H3,(H,21,24)