[(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-cyanoethanoate

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] 2-cyanoethanoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] 2-cyanoacetate CAS Name: 2-cyanoacetic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C21H38N2O3 MolecularWeight: 366.53802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)CC#N)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)CC#N)N)O

InChI

InChI=1S/C21H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)19(23)18-26-21(25)16-17-22/h14-15,19-20,24H,2-13,16,18,23H2,1H3/b15-14+