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

Systemtic Name: [1-(4-methoxyphenyl)-4-methyl-3-oxidanylidene-pyrazolidin-4-yl]methyl hexadecanoate Openeye Name: [1-(4-methoxyphenyl)-4-methyl-3-oxo-pyrazolidin-4-yl]methyl hexadecanoate CAS Name: hexadecanoic acid [1-(4-methoxyphenyl)-4-methyl-3-oxo-4-pyrazolidinyl]methyl ester IUPAC Name: [1-(4-methoxyphenyl)-4-methyl-3-oxopyrazolidin-4-yl]methyl hexadecanoate Traditional Name: palmitic acid [3-keto-1-(4-methoxyphenyl)-4-methyl-pyrazolidin-4-yl]methyl ester Formula: C28H46N2O4 MolecularWeight: 474.67584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1(CN(NC1=O)C2=CC=C(C=C2)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1(CN(NC1=O)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C28H46N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(31)34-23-28(2)22-30(29-27(28)32)24-18-20-25(33-3)21-19-24/h18-21H,4-17,22-23H2,1-3H3,(H,29,32)