ethyl 4-(4-decanoyl-3-methyl-piperazin-1-yl)carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=NC(=NC(=C2C(=O)OCC)C3=CC=CC=C3)C

InChI

InChI=1S/C30H42N4O4/c1-5-7-8-9-10-11-15-18-25(35)34-20-19-33(21-22(34)3)29(36)28-26(30(37)38-6-2)27(31-23(4)32-28)24-16-13-12-14-17-24/h12-14,16-17,22H,5-11,15,18-21H2,1-4H3