1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 1-aminocarbonylcyclopentane-1-carboxylate

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 1-aminocarbonylcyclopentane-1-carboxylate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 1-carbamoylcyclopentanecarboxylate CAS Name: 1-carbamoyl-1-cyclopentanecarboxylic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 1-carbamoylcyclopentane-1-carboxylate Traditional Name: 1-carbamoylcyclopentanecarboxylic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C29H51NO5 MolecularWeight: 493.71894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)C2(CCCC2)C(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)C2(CCCC2)C(=O)N

InChI

InChI=1S/C29H51NO5/c1-3-5-7-9-10-11-12-13-14-18-23(34-28(33)29(27(30)32)20-16-17-21-29)22-25-26(31)24(35-25)19-15-8-6-4-2/h23-25H,3-22H2,1-2H3,(H2,30,32)