ethyl 4-[4-(2-ethylhexanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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