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

Systemtic Name: 1-(4-hexyl-3-oxidanylidene-oxetan-2-yl)tridecan-2-yl 2-aminocarbonylcyclohexane-1-carboxylate Openeye Name: 1-[(4-hexyl-3-oxo-oxetan-2-yl)methyl]dodecyl 2-carbamoylcyclohexanecarboxylate CAS Name: 2-carbamoyl-1-cyclohexanecarboxylic acid 1-(4-hexyl-3-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(4-hexyl-3-oxooxetan-2-yl)tridecan-2-yl 2-carbamoylcyclohexane-1-carboxylate Traditional Name: 2-carbamoylcyclohexanecarboxylic acid 1-[(4-hexyl-3-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C30H53NO5 MolecularWeight: 507.74552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)C2CCCCC2C(=O)N

Isomeric SMILES

CCCCCCCCCCCC(CC1C(=O)C(O1)CCCCCC)OC(=O)C2CCCCC2C(=O)N

InChI

InChI=1S/C30H53NO5/c1-3-5-7-9-10-11-12-13-14-18-23(22-27-28(32)26(36-27)21-15-8-6-4-2)35-30(34)25-20-17-16-19-24(25)29(31)33/h23-27H,3-22H2,1-2H3,(H2,31,33)