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

Systemtic Name: methyl 4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]benzoate CAS Name: 4-[[3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propanoylamino]benzoic acid methyl ester Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-13(2)12-23-15(4)18(14(3)22-23)10-11-19(24)21-17-8-6-16(7-9-17)20(25)26-5/h6-9,13H,10-12H2,1-5H3,(H,21,24)