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

Systemtic Name: ethyl 2-methyl-4-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-methyl-4-(3-methyl-4-octanoyl-piperazine-1-carbonyl)-6-phenyl-pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-oxomethyl]-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-methyl-4-octanoylpiperazine-1-carbonyl)-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4/c1-5-7-8-9-13-16-23(33)32-18-17-31(19-20(32)3)27(34)26-24(28(35)36-6-2)25(29-21(4)30-26)22-14-11-10-12-15-22/h10-12,14-15,20H,5-9,13,16-19H2,1-4H3