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

Systemtic Name: 2-[2-oxidanylidene-2-[(5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]icosanoic acid Openeye Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]icosanoic acid CAS Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]eicosanoic acid IUPAC Name: 2-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]ethyl]icosanoic acid Traditional Name: 2-[2-keto-2-[(5-keto-1-phenyl-2-pyrazolin-3-yl)amino]ethyl]arachidic acid Formula: C31H49N3O4 MolecularWeight: 527.73846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H49N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-26(31(37)38)24-29(35)32-28-25-30(36)34(33-28)27-22-19-17-20-23-27/h17,19-20,22-23,26H,2-16,18,21,24-25H2,1H3,(H,37,38)(H,32,33,35)