prop-2-enyl 4-(4-dodecanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-(4-dodecanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-(4-dodecanoyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxododecyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-dodecanoyl-3-methylpiperazine-1-carbonyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-lauroyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C33H46N4O4 MolecularWeight: 562.74274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H46N4O4/c1-5-7-8-9-10-11-12-13-17-20-28(38)37-22-21-36(24-25(37)3)32(39)30-29(33(40)41-23-6-2)26(4)34-31(35-30)27-18-15-14-16-19-27/h6,14-16,18-19,25H,2,5,7-13,17,20-24H2,1,3-4H3