4-[4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid

Systemtic Name: 4-[4-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CN(N=C2)CCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=CN(N=C2)CCCC(=O)O

InChI

InChI=1S/C17H20ClN3O4/c1-11-6-14(7-12(2)17(11)18)25-10-15(22)20-13-8-19-21(9-13)5-3-4-16(23)24/h6-9H,3-5,10H2,1-2H3,(H,20,22)(H,23,24)