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

Systemtic Name: ethyl 4-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-2-phenyl-6-propyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-methyl-4-octanoyl-piperazine-1-carbonyl)-2-phenyl-6-propyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methyl-4-octanoylpiperazine-1-carbonyl)-2-phenyl-6-propylpyrimidine-5-carboxylate Traditional Name: 4-(4-caprylyl-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:

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

Isomeric SMILES

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

InChI

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