(phenylmethyl) 2-[[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]acetate CAS Name: 2-[[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate Traditional Name: 2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]acetic acid benzyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15(2)21-19(12-25-26(21)18-10-6-9-17(23)11-18)22(28)24-13-20(27)29-14-16-7-4-3-5-8-16/h3-12,15H,13-14H2,1-2H3,(H,24,28)