[(E,2S,3R)-2-(ethoxycarbonylamino)-3-oxidanyl-octadec-4-enyl] benzoate

Systemtic Name: [(E,2S,3R)-2-(ethoxycarbonylamino)-3-oxidanyl-octadec-4-enyl] benzoate Openeye Name: [(E,2S,3R)-2-(ethoxycarbonylamino)-3-hydroxy-octadec-4-enyl] benzoate CAS Name: benzoic acid [(E,2S,3R)-2-(ethoxycarbonylamino)-3-hydroxyoctadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-2-(ethoxycarbonylamino)-3-hydroxyoctadec-4-enyl] benzoate Traditional Name: benzoic acid [(E,2S,3R)-2-(carbethoxyamino)-3-hydroxy-octadec-4-enyl] ester Formula: C28H45NO5 MolecularWeight: 475.6606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COC(=O)C1=CC=CC=C1)NC(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COC(=O)C1=CC=CC=C1)NC(=O)OCC)O

InChI

InChI=1S/C28H45NO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-26(30)25(29-28(32)33-4-2)23-34-27(31)24-20-17-16-18-21-24/h16-22,25-26,30H,3-15,23H2,1-2H3,(H,29,32)/b22-19+/t25-,26+/m0/s1