2-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]octadecanoic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]octadecanoic acid Openeye Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]octadecanoic acid CAS Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]octadecanoic acid IUPAC Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]octadecanoic acid Traditional Name: 2-[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]stearic acid Formula: C29H45N3O4 MolecularWeight: 499.6853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(=O)NC1=NN(C(=O)C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H45N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24(29(35)36)22-27(33)30-26-23-28(34)32(31-26)25-20-17-15-18-21-25/h15,17-18,20-21,24H,2-14,16,19,22-23H2,1H3,(H,35,36)(H,30,31,33)