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

Systemtic Name: methyl 3-[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]ethanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 4-fluoro-3-[[2-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)acetyl]amino]benzoate CAS Name: 3-[[2-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxoethyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetyl]amino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[[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=C(C=CC(=C2)C(=O)OC)F

Isomeric SMILES

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

InChI

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