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

Systemtic Name: methyl 2-[4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: methyl 2-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 2-[[4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanoylamino]benzoate Traditional Name: 2-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid methyl ester Formula: C17H20IN3O3 MolecularWeight: 441.26347

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)C)I

Isomeric SMILES

CC1=C(C(=NN1CCCC(=O)NC2=CC=CC=C2C(=O)OC)C)I

InChI

InChI=1S/C17H20IN3O3/c1-11-16(18)12(2)21(20-11)10-6-9-15(22)19-14-8-5-4-7-13(14)17(23)24-3/h4-5,7-8H,6,9-10H2,1-3H3,(H,19,22)