(3-hexyl-2-oxidanylidene-6-undecyl-oxan-4-yl) 5,5,5-trideuterio-2-formamido-4-methyl-pentanoate

Systemtic Name: (3-hexyl-2-oxidanylidene-6-undecyl-oxan-4-yl) 5,5,5-trideuterio-2-formamido-4-methyl-pentanoate Openeye Name: (3-hexyl-2-oxo-6-undecyl-tetrahydropyran-4-yl) 5,5,5-trideuterio-2-formamido-4-methyl-pentanoate CAS Name: 5,5,5-trideuterio-2-formamido-4-methylpentanoic acid (3-hexyl-2-oxo-6-undecyl-4-oxanyl) ester IUPAC Name: (3-hexyl-2-oxo-6-undecyloxan-4-yl) 5,5,5-trideuterio-2-formamido-4-methylpentanoate Traditional Name: 5,5,5-trideuterio-2-formamido-4-methyl-valeric acid (3-hexyl-2-keto-6-undecyl-tetrahydropyran-4-yl) ester Formula: C29H53NO5 MolecularWeight: 498.753305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1CC(C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

[2H]C([2H])([2H])C(C)CC(C(=O)OC1CC(OC(=O)C1CCCCCC)CCCCCCCCCCC)NC=O

InChI

InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24-21-27(25(28(32)34-24)19-17-10-8-6-2)35-29(33)26(30-22-31)20-23(3)4/h22-27H,5-21H2,1-4H3,(H,30,31)/i3D3