[(E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-octadec-4-en-3-yl] benzoate

Systemtic Name: [(E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(E)-1-[(1R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-1-hydroxyoctadec-4-en-3-yl] ester IUPAC Name: [(E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-1-hydroxyoctadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-[(1R)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-ethyl]hexadec-2-enyl] ester Formula: C40H51NO5 MolecularWeight: 625.83664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C40H51NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-28-38(46-39(43)31-22-15-14-16-23-31)37(29-42)41-40(44)45-30-36-34-26-20-18-24-32(34)33-25-19-21-27-35(33)36/h14-28,36-38,42H,2-13,29-30H2,1H3,(H,41,44)/b28-17+/t37-,38?/m1/s1