2-chloranyl-5-[3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-(octadecanoylamino)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 2-chloro-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 2-chloro-5-[5-oxo-3-(1-oxooctadecylamino)-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 2-chloro-5-[3-(octadecanoylamino)-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 2-chloro-5-(5-keto-3-stearamido-2-pyrazolin-1-yl)benzoic acid Formula: C28H42ClN3O4 MolecularWeight: 520.10378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NN(C(=O)C1)C2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C28H42ClN3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)30-25-21-27(34)32(31-25)22-18-19-24(29)23(20-22)28(35)36/h18-20H,2-17,21H2,1H3,(H,35,36)(H,30,31,33)