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

Systemtic Name: ethyl 4-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenyl-6-propyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C31H44N4O4 MolecularWeight: 536.70546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC(C)CC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC1=NC(=NC(=C1C(=O)OCC)C(=O)N2CCN(C(C2)C)C(=O)CC(C)CC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C31H44N4O4/c1-8-13-24-26(30(38)39-9-2)27(33-28(32-24)23-14-11-10-12-15-23)29(37)34-16-17-35(22(4)20-34)25(36)18-21(3)19-31(5,6)7/h10-12,14-15,21-22H,8-9,13,16-20H2,1-7H3