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

Systemtic Name: 2-[1-(4-acetyloxyphenyl)-4-butyl-5-oxidanylidene-2-phenyl-pyrazol-3-yl]pyridine-3-carboxylic acid Openeye Name: 2-[1-(4-acetoxyphenyl)-4-butyl-5-oxo-2-phenyl-pyrazol-3-yl]pyridine-3-carboxylic acid CAS Name: 2-[1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenyl-3-pyrazolyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[1-(4-acetyloxyphenyl)-4-butyl-5-oxo-2-phenylpyrazol-3-yl]pyridine-3-carboxylic acid Traditional Name: 2-[1-(4-acetoxyphenyl)-4-butyl-5-keto-2-phenyl-3-pyrazolin-3-yl]nicotinic acid Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(N(C1=O)C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCCC1=C(N(N(C1=O)C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C27H25N3O5/c1-3-4-11-23-25(24-22(27(33)34)12-8-17-28-24)29(19-9-6-5-7-10-19)30(26(23)32)20-13-15-21(16-14-20)35-18(2)31/h5-10,12-17H,3-4,11H2,1-2H3,(H,33,34)