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

Systemtic Name: ethyl 4-[4-(4-iodanyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoate Openeye Name: ethyl 4-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoate CAS Name: 4-[[4-(4-iodo-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-iodo-3,5-dimethylpyrazol-1-yl)butanoylamino]benzoate Traditional Name: 4-[4-(4-iodo-3,5-dimethyl-pyrazol-1-yl)butanoylamino]benzoic acid ethyl ester Formula: C18H22IN3O3 MolecularWeight: 455.29005

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=C(C(=N2)C)I)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=C(C(=N2)C)I)C

InChI

InChI=1S/C18H22IN3O3/c1-4-25-18(24)14-7-9-15(10-8-14)20-16(23)6-5-11-22-13(3)17(19)12(2)21-22/h7-10H,4-6,11H2,1-3H3,(H,20,23)