octyl 2-(4-methyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)hexanoate

Systemtic Name: octyl 2-(4-methyl-6-oxidanylidene-2-phenyl-1,3-diazinan-5-yl)hexanoate Openeye Name: octyl 2-(4-methyl-6-oxo-2-phenyl-hexahydropyrimidin-5-yl)hexanoate CAS Name: 2-(4-methyl-6-oxo-2-phenyl-1,3-diazinan-5-yl)hexanoic acid octyl ester IUPAC Name: octyl 2-(4-methyl-6-oxo-2-phenyl-1,3-diazinan-5-yl)hexanoate Traditional Name: 2-(4-keto-6-methyl-2-phenyl-hexahydropyrimidin-5-yl)hexanoic acid octyl ester Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CCCC)C1C(NC(NC1=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCOC(=O)C(CCCC)C1C(NC(NC1=O)C2=CC=CC=C2)C

InChI

InChI=1S/C25H40N2O3/c1-4-6-8-9-10-14-18-30-25(29)21(17-7-5-2)22-19(3)26-23(27-24(22)28)20-15-12-11-13-16-20/h11-13,15-16,19,21-23,26H,4-10,14,17-18H2,1-3H3,(H,27,28)