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

Systemtic Name: 4-[[4-[(E)-(5-oxidanylidene-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-[(E)-(5-oxo-1-phenyl-3-propyl-pyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid CAS Name: 4-[[4-[(E)-(5-oxo-1-phenyl-3-propyl-4-pyrazolylidene)methyl]phenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-[(E)-(5-oxo-1-phenyl-3-propylpyrazol-4-ylidene)methyl]phenoxy]methyl]benzoic acid Traditional Name: 4-[[4-[(E)-(5-keto-1-phenyl-3-propyl-2-pyrazolin-4-ylidene)methyl]phenoxy]methyl]benzoic acid Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-5,7-17H,2,6,18H2,1H3,(H,31,32)/b24-17+