2-[2-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(E)-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]acetic acid CAS Name: 2-[2-[(E)-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(E)-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(E)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]phenoxy]acetic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=CC=C2OCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC=CC=C2OCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-2-8-18-17(21(26)23(22-18)16-10-4-3-5-11-16)13-15-9-6-7-12-19(15)27-14-20(24)25/h3-7,9-13H,2,8,14H2,1H3,(H,24,25)/b17-13+