dodecyl 2-[[2-[(E)-but-2-enyl]-3-oxidanylidene-oxetan-2-yl]-methyl-carbamoyl]-3-methyl-butanoate

Systemtic Name: dodecyl 2-[[2-[(E)-but-2-enyl]-3-oxidanylidene-oxetan-2-yl]-methyl-carbamoyl]-3-methyl-butanoate Openeye Name: dodecyl 2-[[2-[(E)-but-2-enyl]-3-oxo-oxetan-2-yl]-methyl-carbamoyl]-3-methyl-butanoate CAS Name: 2-[[[2-[(E)-but-2-enyl]-3-oxo-2-oxetanyl]-methylamino]-oxomethyl]-3-methylbutanoic acid dodecyl ester IUPAC Name: dodecyl 2-[[2-[(E)-but-2-enyl]-3-oxooxetan-2-yl]-methylcarbamoyl]-3-methylbutanoate Traditional Name: 2-[[2-[(E)-but-2-enyl]-3-keto-oxetan-2-yl]-methyl-carbamoyl]-3-methyl-butyric acid lauryl ester Formula: C26H45NO5 MolecularWeight: 451.6392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C(C)C)C(=O)N(C)C1(C(=O)CO1)CC=CC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C(C)C)C(=O)N(C)C1(C(=O)CO1)C/C=C/C

InChI

InChI=1S/C26H45NO5/c1-6-8-10-11-12-13-14-15-16-17-19-31-25(30)23(21(3)4)24(29)27(5)26(18-9-7-2)22(28)20-32-26/h7,9,21,23H,6,8,10-20H2,1-5H3/b9-7+