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

Systemtic Name: 4-[4-[2-(3,5-dimethylphenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CN(N=C2)CCCC(=O)O)C

InChI

InChI=1S/C17H21N3O4/c1-12-6-13(2)8-15(7-12)24-11-16(21)19-14-9-18-20(10-14)5-3-4-17(22)23/h6-10H,3-5,11H2,1-2H3,(H,19,21)(H,22,23)