3-(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxypropanoic acid

Systemtic Name: 3-(4-butyl-5-oxidanylidene-1,2-diphenyl-pyrazol-3-yl)oxypropanoic acid Openeye Name: 3-(4-butyl-5-oxo-1,2-diphenyl-pyrazol-3-yl)oxypropanoic acid CAS Name: 3-[(4-butyl-5-oxo-1,2-diphenyl-3-pyrazolyl)oxy]propanoic acid IUPAC Name: 3-(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl)oxypropanoic acid Traditional Name: 3-[(4-butyl-5-keto-1,2-diphenyl-3-pyrazolin-3-yl)oxy]propionic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OCCC(=O)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OCCC(=O)O

InChI

InChI=1S/C22H24N2O4/c1-2-3-14-19-21(27)23(17-10-6-4-7-11-17)24(18-12-8-5-9-13-18)22(19)28-16-15-20(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)