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

Systemtic Name: propan-2-yl 4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-14(2)13-25-17(6)20(16(5)24-25)11-12-21(26)23-19-9-7-18(8-10-19)22(27)28-15(3)4/h7-10,14-15H,11-13H2,1-6H3,(H,23,26)