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

Systemtic Name: 4-[4-[2-(2-methylphenoxy)ethanoylamino]pyrazol-1-yl]butanoic acid Openeye Name: 4-[4-[[2-(2-methylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid CAS Name: 4-[4-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-1-pyrazolyl]butanoic acid IUPAC Name: 4-[4-[[2-(2-methylphenoxy)acetyl]amino]pyrazol-1-yl]butanoic acid Traditional Name: 4-[4-[[2-(2-methylphenoxy)acetyl]amino]pyrazol-1-yl]butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC2=CN(N=C2)CCCC(=O)O

InChI

InChI=1S/C16H19N3O4/c1-12-5-2-3-6-14(12)23-11-15(20)18-13-9-17-19(10-13)8-4-7-16(21)22/h2-3,5-6,9-10H,4,7-8,11H2,1H3,(H,18,20)(H,21,22)