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

Systemtic Name: ethyl 4-methyl-6-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-6-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(3,5,5-trimethyl-1-oxohexyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-6-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-(3,5,5-trimethylhexanoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)CC(C)CC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)CC(C)CC(C)(C)C

InChI

InChI=1S/C29H40N4O4/c1-8-37-28(36)24-21(4)30-26(22-12-10-9-11-13-22)31-25(24)27(35)32-14-15-33(20(3)18-32)23(34)16-19(2)17-29(5,6)7/h9-13,19-20H,8,14-18H2,1-7H3