[(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-ethanoyl-12-oxidanyl-heptadecanoate

Systemtic Name: [(E)-4-(tert-butylamino)-4-oxidanylidene-but-2-en-2-yl] 8-ethanoyl-12-oxidanyl-heptadecanoate Openeye Name: [(E)-3-(tert-butylamino)-1-methyl-3-oxo-prop-1-enyl] 8-acetyl-12-hydroxy-heptadecanoate CAS Name: 8-acetyl-12-hydroxyheptadecanoic acid [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] ester IUPAC Name: [(E)-4-(tert-butylamino)-4-oxobut-2-en-2-yl] 8-acetyl-12-hydroxyheptadecanoate Traditional Name: 8-acetyl-12-hydroxy-heptadecanoic acid [(E)-3-(tert-butylamino)-3-keto-1-methyl-prop-1-enyl] ester Formula: C27H49NO5 MolecularWeight: 467.68166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCC(CCCCCCC(=O)OC(=CC(=O)NC(C)(C)C)C)C(=O)C)O

Isomeric SMILES

CCCCCC(CCCC(CCCCCCC(=O)O/C(=C/C(=O)NC(C)(C)C)/C)C(=O)C)O

InChI

InChI=1S/C27H49NO5/c1-7-8-11-17-24(30)18-14-16-23(22(3)29)15-12-9-10-13-19-26(32)33-21(2)20-25(31)28-27(4,5)6/h20,23-24,30H,7-19H2,1-6H3,(H,28,31)/b21-20+