1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)tridecan-2-yl 2-acetamido-4-methyl-pentanoate

Systemtic Name: 1-(3-hexyl-4-oxidanylidene-oxetan-2-yl)tridecan-2-yl 2-acetamido-4-methyl-pentanoate Openeye Name: 1-[(3-hexyl-4-oxo-oxetan-2-yl)methyl]dodecyl 2-acetamido-4-methyl-pentanoate CAS Name: 2-acetamido-4-methylpentanoic acid 1-(3-hexyl-4-oxo-2-oxetanyl)tridecan-2-yl ester IUPAC Name: 1-(3-hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-acetamido-4-methylpentanoate Traditional Name: 2-acetamido-4-methyl-valeric acid 1-[(3-hexyl-4-keto-oxetan-2-yl)methyl]dodecyl ester Formula: C30H55NO5 MolecularWeight: 509.7614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC(=O)C

Isomeric SMILES

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC(=O)C

InChI

InChI=1S/C30H55NO5/c1-6-8-10-12-13-14-15-16-17-19-25(35-30(34)27(21-23(3)4)31-24(5)32)22-28-26(29(33)36-28)20-18-11-9-7-2/h23,25-28H,6-22H2,1-5H3,(H,31,32)