(phenylmethyl) 4-(4-dodecanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-dodecanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-dodecanoyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxododecyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-dodecanoyl-3-methylpiperazine-1-carbonyl)-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-lauroyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C32H46N4O4 MolecularWeight: 550.73204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H46N4O4/c1-5-6-7-8-9-10-11-12-16-19-28(37)36-21-20-35(22-24(36)2)31(38)30-29(25(3)33-26(4)34-30)32(39)40-23-27-17-14-13-15-18-27/h13-15,17-18,24H,5-12,16,19-23H2,1-4H3