methyl 2-[2-[[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[1-(3-chlorophenyl)-5-methyl-pyrazol-4-yl]carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[1-(3-chlorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(3-chlorophenyl)-5-methyl-pyrazole-4-carbonyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C22H21ClN4O4 MolecularWeight: 440.87954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N(C)CC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N(C)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H21ClN4O4/c1-14-18(12-24-27(14)16-8-6-7-15(23)11-16)21(29)26(2)13-20(28)25-19-10-5-4-9-17(19)22(30)31-3/h4-12H,13H2,1-3H3,(H,25,28)