[(E)-4,4-dimethoxy-3-methyl-but-2-enyl] 2-[2-(octadecanoylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: [(E)-4,4-dimethoxy-3-methyl-but-2-enyl] 2-[2-(octadecanoylamino)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: [(E)-4,4-dimethoxy-3-methyl-but-2-enyl] 2-[2-(octadecanoylamino)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[4-oxo-2-(1-oxooctadecylamino)-1H-pyrimidin-6-yl]acetic acid [(E)-4,4-dimethoxy-3-methylbut-2-enyl] ester IUPAC Name: [(E)-4,4-dimethoxy-3-methylbut-2-enyl] 2-[2-(octadecanoylamino)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-(4-keto-2-stearamido-1H-pyrimidin-6-yl)acetic acid [(E)-4,4-dimethoxy-3-methyl-but-2-enyl] ester Formula: C31H53N3O6 MolecularWeight: 563.76902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C=C(N1)CC(=O)OCC=C(C)C(OC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)C=C(N1)CC(=O)OC/C=C(\C)/C(OC)OC

InChI

InChI=1S/C31H53N3O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(35)33-31-32-26(23-28(36)34-31)24-29(37)40-22-21-25(2)30(38-3)39-4/h21,23,30H,5-20,22,24H2,1-4H3,(H2,32,33,34,35,36)/b25-21+