3-[4-butyl-5-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyloxy)phenyl]pyrazol-3-yl]pyridine-2-carboxylic acid

Systemtic Name: 3-[4-butyl-5-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyloxy)phenyl]pyrazol-3-yl]pyridine-2-carboxylic acid Openeye Name: 3-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl]pyridine-2-carboxylic acid CAS Name: 3-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-3-pyrazolyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenylpyrazol-3-yl]pyridine-2-carboxylic acid Traditional Name: 3-[2-(4-benzoyloxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl]picolinic acid Formula: C32H27N3O5 MolecularWeight: 533.57388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=C(N=CC=C5)C(=O)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=C(N=CC=C5)C(=O)O

InChI

InChI=1S/C32H27N3O5/c1-2-3-15-27-29(26-16-10-21-33-28(26)31(37)38)34(35(30(27)36)23-13-8-5-9-14-23)24-17-19-25(20-18-24)40-32(39)22-11-6-4-7-12-22/h4-14,16-21H,2-3,15H2,1H3,(H,37,38)