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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N4O4/c1-5-7-8-9-10-14-17-24(34)33-19-18-32(20-21(33)3)28(35)27-25(29(36)37-6-2)26(30-22(4)31-27)23-15-12-11-13-16-23/h11-13,15-16,21H,5-10,14,17-20H2,1-4H3