(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl dodecanoate

Systemtic Name: (4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl dodecanoate Openeye Name: (4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl)methyl dodecanoate CAS Name: dodecanoic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl ester IUPAC Name: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl dodecanoate Traditional Name: lauric acid (3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1(CN(NC1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1(CN(NC1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C23H36N2O3/c1-3-4-5-6-7-8-9-10-14-17-21(26)28-19-23(2)18-25(24-22(23)27)20-15-12-11-13-16-20/h11-13,15-16H,3-10,14,17-19H2,1-2H3,(H,24,27)