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

Systemtic Name: propan-2-yl 4-methyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-6-(3-methyl-4-octanoyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-6-(3-methyl-4-octanoylpiperazine-1-carbonyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OC(C)C

InChI

InChI=1S/C29H40N4O4/c1-6-7-8-9-13-16-24(34)33-18-17-32(19-21(33)4)28(35)26-25(29(36)37-20(2)3)22(5)30-27(31-26)23-14-11-10-12-15-23/h10-12,14-15,20-21H,6-9,13,16-19H2,1-5H3