[(4E,7E)-1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)-4,8-dimethyl-trideca-4,7-dien-2-yl] 2-formamido-4-methyl-pentanoate

Systemtic Name: [(4E,7E)-1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)-4,8-dimethyl-trideca-4,7-dien-2-yl] 2-formamido-4-methyl-pentanoate Openeye Name: [(3E,6E)-1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]-3,7-dimethyl-dodeca-3,6-dienyl] 2-formamido-4-methyl-pentanoate CAS Name: 2-formamido-4-methylpentanoic acid [(4E,7E)-1-(3-hexyl-4-oxo-2-oxetanyl)-4,8-dimethyltrideca-4,7-dien-2-yl] ester IUPAC Name: [(4E,7E)-1-(3-hexyl-4-oxooxetan-2-yl)-4,8-dimethyltrideca-4,7-dien-2-yl] 2-formamido-4-methylpentanoate Traditional Name: 2-formamido-4-methyl-valeric acid [(3E,6E)-1-[(3-hexyl-4-keto-oxetan-2-yl)methyl]-3,7-dimethyl-dodeca-3,6-dienyl] ester Formula: C31H53NO5 MolecularWeight: 519.75622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(OC1=O)CC(CC(=CCC=C(C)CCCCC)C)OC(=O)C(CC(C)C)NC=O

Isomeric SMILES

CCCCCCC1C(OC1=O)CC(C/C(=C/C/C=C(\C)/CCCCC)/C)OC(=O)C(CC(C)C)NC=O

InChI

InChI=1S/C31H53NO5/c1-7-9-11-13-18-27-29(37-30(27)34)21-26(36-31(35)28(32-22-33)19-23(3)4)20-25(6)17-14-16-24(5)15-12-10-8-2/h16-17,22-23,26-29H,7-15,18-21H2,1-6H3,(H,32,33)/b24-16+,25-17+