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

Systemtic Name: [(E)-2-azanyl-3-oxidanyl-octadec-4-enyl] benzoate Openeye Name: [(E)-2-amino-3-hydroxy-octadec-4-enyl] benzoate CAS Name: benzoic acid [(E)-2-amino-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E)-2-amino-3-hydroxyoctadec-4-enyl] benzoate Traditional Name: benzoic acid [(E)-2-amino-3-hydroxy-octadec-4-enyl] ester Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C1=CC=CC=C1)N)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(COC(=O)C1=CC=CC=C1)N)O

InChI

InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)23(26)21-29-25(28)22-18-15-14-16-19-22/h14-20,23-24,27H,2-13,21,26H2,1H3/b20-17+