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

Systemtic Name: (phenylmethyl) 4-(4-decanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-decanoyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxodecyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-decanoyl-3-methylpiperazine-1-carbonyl)-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-capryl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O4/c1-5-6-7-8-9-10-14-17-26(35)34-19-18-33(20-22(34)2)29(36)28-27(23(3)31-24(4)32-28)30(37)38-21-25-15-12-11-13-16-25/h11-13,15-16,22H,5-10,14,17-21H2,1-4H3