tert-butyl N-[(E,2S,3R)-3-(methoxymethoxy)-1-oxidanyl-octadec-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S,3R)-3-(methoxymethoxy)-1-oxidanyl-octadec-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,2R)-1-(hydroxymethyl)-2-(methoxymethoxy)heptadec-3-enyl]carbamate CAS Name: N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S,3R)-1-hydroxy-3-(methoxymethoxy)octadec-4-en-2-yl]carbamate Traditional Name: N-[(E,1S,2R)-2-(methoxymethoxy)-1-methylol-heptadec-3-enyl]carbamic acid tert-butyl ester Formula: C25H49NO5 MolecularWeight: 443.66026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)OC(C)(C)C)OCOC

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)OC(C)(C)C)OCOC

InChI

InChI=1S/C25H49NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(30-21-29-5)22(20-27)26-24(28)31-25(2,3)4/h18-19,22-23,27H,6-17,20-21H2,1-5H3,(H,26,28)/b19-18+/t22-,23+/m0/s1