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

Systemtic Name: (phenylmethyl) 2,4-dimethyl-6-(3-methyl-4-nonanoyl-piperazin-1-yl)carbonyl-pyrimidine-5-carboxylate Openeye Name: benzyl 2,4-dimethyl-6-(3-methyl-4-nonanoyl-piperazine-1-carbonyl)pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxononyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-dimethyl-6-(3-methyl-4-nonanoylpiperazine-1-carbonyl)pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-methyl-4-pelargonyl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c1-5-6-7-8-9-13-16-25(34)33-18-17-32(19-21(33)2)28(35)27-26(22(3)30-23(4)31-27)29(36)37-20-24-14-11-10-12-15-24/h10-12,14-15,21H,5-9,13,16-20H2,1-4H3