(4-methyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl octadecanoate

Systemtic Name: (4-methyl-5-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl octadecanoate Openeye Name: (4-methyl-5-oxo-1-phenyl-pyrazolidin-4-yl)methyl octadecanoate CAS Name: octadecanoic acid (4-methyl-5-oxo-1-phenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-methyl-5-oxo-1-phenylpyrazolidin-4-yl)methyl octadecanoate Traditional Name: stearic acid (5-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester Formula: C29H48N2O3 MolecularWeight: 472.70302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1(CNN(C1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1(CNN(C1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C29H48N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)34-25-29(2)24-30-31(28(29)33)26-21-18-17-19-22-26/h17-19,21-22,30H,3-16,20,23-25H2,1-2H3