[3-hexyl-2-oxidanylidene-4-[(4E,7E)-trideca-4,7-dienyl]oxetan-3-yl] 2-formamido-4-methyl-pentanoate

Systemtic Name: [3-hexyl-2-oxidanylidene-4-[(4E,7E)-trideca-4,7-dienyl]oxetan-3-yl] 2-formamido-4-methyl-pentanoate Openeye Name: [3-hexyl-2-oxo-4-[(4E,7E)-trideca-4,7-dienyl]oxetan-3-yl] 2-formamido-4-methyl-pentanoate CAS Name: 2-formamido-4-methylpentanoic acid [3-hexyl-2-oxo-4-[(4E,7E)-trideca-4,7-dienyl]-3-oxetanyl] ester IUPAC Name: [3-hexyl-2-oxo-4-[(4E,7E)-trideca-4,7-dienyl]oxetan-3-yl] 2-formamido-4-methylpentanoate Traditional Name: 2-formamido-4-methyl-valeric acid [3-hexyl-2-keto-4-[(4E,7E)-trideca-4,7-dienyl]oxetan-3-yl] ester Formula: C29H49NO5 MolecularWeight: 491.70306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(OC1=O)CCCC=CCC=CCCCCC)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCCC1(C(OC1=O)CCC/C=C/C/C=C/CCCCC)OC(=O)C(CC(C)C)NC=O

InChI

InChI=1S/C29H49NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26-29(28(33)34-26,21-19-10-8-6-2)35-27(32)25(30-23-31)22-24(3)4/h12-13,15-16,23-26H,5-11,14,17-22H2,1-4H3,(H,30,31)/b13-12+,16-15+