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

Systemtic Name: 4-[4-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C16H18ClN3O4 MolecularWeight: 351.78482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O4/c1-11-7-13(4-5-14(11)17)24-10-15(21)19-12-8-18-20(9-12)6-2-3-16(22)23/h4-5,7-9H,2-3,6,10H2,1H3,(H,19,21)(H,22,23)