[1-(4-methoxyphenyl)-3-oxidanylidene-pyrazolidin-4-yl]methyl hexadecanoate

Systemtic Name: [1-(4-methoxyphenyl)-3-oxidanylidene-pyrazolidin-4-yl]methyl hexadecanoate Openeye Name: [1-(4-methoxyphenyl)-3-oxo-pyrazolidin-4-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [1-(4-methoxyphenyl)-3-oxo-4-pyrazolidinyl]methyl ester IUPAC Name: [1-(4-methoxyphenyl)-3-oxopyrazolidin-4-yl]methyl hexadecanoate Traditional Name: palmitic acid [3-keto-1-(4-methoxyphenyl)pyrazolidin-4-yl]methyl ester Formula: C27H44N2O4 MolecularWeight: 460.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1CN(NC1=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1CN(NC1=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C27H44N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(30)33-22-23-21-29(28-27(23)31)24-17-19-25(32-2)20-18-24/h17-20,23H,3-16,21-22H2,1-2H3,(H,28,31)