[(E,2S,3R)-2-azanyl-1-oxidanyl-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E,2S,3R)-2-azanyl-1-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(E,1R)-1-[(1S)-1-amino-2-hydroxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-2-amino-1-hydroxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2S,3R)-2-amino-1-hydroxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R)-1-[(1S)-1-amino-2-hydroxy-ethyl]hexadec-2-enyl] ester Formula: C25H41NO3 MolecularWeight: 403.59794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(23(26)21-27)29-25(28)22-18-15-14-16-19-22/h14-20,23-24,27H,2-13,21,26H2,1H3/b20-17+/t23-,24+/m0/s1