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

Systemtic Name: 2-[4-butyl-5-oxidanylidene-1-phenyl-2-[4-(phenylcarbonyloxy)phenyl]pyrazol-3-yl]pyridine-4-carboxylic acid Openeye Name: 2-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-pyrazol-3-yl]pyridine-4-carboxylic acid CAS Name: 2-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenyl-3-pyrazolyl]-4-pyridinecarboxylic acid IUPAC Name: 2-[2-(4-benzoyloxyphenyl)-4-butyl-5-oxo-1-phenylpyrazol-3-yl]pyridine-4-carboxylic acid Traditional Name: 2-[2-(4-benzoyloxyphenyl)-4-butyl-5-keto-1-phenyl-3-pyrazolin-3-yl]isonicotinic 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=NC=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=NC=CC(=C5)C(=O)O

InChI

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