4-[4-[2-(4-iodanylphenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[2-(4-iodanylphenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(4-iodophenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(4-iodophenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(4-iodophenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(4-iodophenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C15H16IN3O4 MolecularWeight: 429.20971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O)I

InChI

InChI=1S/C15H16IN3O4/c16-11-3-5-13(6-4-11)23-10-14(20)18-12-8-17-19(9-12)7-1-2-15(21)22/h3-6,8-9H,1-2,7,10H2,(H,18,20)(H,21,22)