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methyl (E,4S)-4-(2-oxidanylhexadecanoylamino)oct-2-enoate

methyl (E,4S)-4-(2-oxidanylhexadecanoylamino)oct-2-enoate

Systemtic Name:methyl (E,4S)-4-(2-oxidanylhexadecanoylamino)oct-2-enoate
Openeye Name:methyl (E,4S)-4-(2-hydroxyhexadecanoylamino)oct-2-enoate
CAS Name:(E,4S)-4-[(2-hydroxy-1-oxohexadecyl)amino]-2-octenoic acid methyl ester
IUPAC Name:methyl (E,4S)-4-(2-hydroxyhexadecanoylamino)oct-2-enoate
Traditional Name:(E,4S)-4-(2-hydroxyhexadecanoylamino)oct-2-enoic acid methyl ester
Formula: C25H47NO4
MolecularWeight: 425.64498
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)NC(CCCC)C=CC(=O)OC)O


Isomeric SMILES

CCCCCCCCCCCCCCC(C(=O)N[C@@H](CCCC)/C=C/C(=O)OC)O


InChI

InChI=1S/C25H47NO4/c1-4-6-8-9-10-11-12-13-14-15-16-17-19-23(27)25(29)26-22(18-7-5-2)20-21-24(28)30-3/h20-23,27H,4-19H2,1-3H3,(H,26,29)/b21-20+/t22-,23?/m0/s1


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