[4-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]cyclohexyl] benzoate

Systemtic Name: [4-[5-butyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]cyclohexyl] benzoate Openeye Name: [4-(5-butyl-2,4,6-trioxo-hexahydropyrimidin-1-yl)cyclohexyl] benzoate CAS Name: benzoic acid [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] ester IUPAC Name: [4-(5-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)cyclohexyl] benzoate Traditional Name: benzoic acid [4-(5-butyl-2,4,6-triketo-hexahydropyrimidin-1-yl)cyclohexyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1C(=O)NC(=O)N(C1=O)C2CCC(CC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5/c1-2-3-9-17-18(24)22-21(27)23(19(17)25)15-10-12-16(13-11-15)28-20(26)14-7-5-4-6-8-14/h4-8,15-17H,2-3,9-13H2,1H3,(H,22,24,27)