ethyl 2-[4-[2-(4-iodanylphenoxy)ethanoylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[2-(4-iodanylphenoxy)ethanoylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[[2-(4-iodophenoxy)-1-oxoethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3,5-dimethyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C17H20IN3O4 MolecularWeight: 457.26287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=C(C=C2)I)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)COC2=CC=C(C=C2)I)C

InChI

InChI=1S/C17H20IN3O4/c1-4-24-16(23)9-21-12(3)17(11(2)20-21)19-15(22)10-25-14-7-5-13(18)6-8-14/h5-8H,4,9-10H2,1-3H3,(H,19,22)