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

Systemtic Name: [(E,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-octadec-4-en-3-yl] benzoate Openeye Name: [(E)-1-[(1R)-1-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]hexadec-2-enyl] benzoate CAS Name: benzoic acid [(E,2R)-1-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octadec-4-en-3-yl] ester IUPAC Name: [(E,2R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-en-3-yl] benzoate Traditional Name: benzoic acid [(E)-1-[(1R)-1-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]hexadec-2-enyl] ester Formula: C30H49NO5 MolecularWeight: 503.71376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H49NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(35-28(33)25-21-18-17-19-22-25)26(24-32)31-29(34)36-30(2,3)4/h17-23,26-27,32H,5-16,24H2,1-4H3,(H,31,34)/b23-20+/t26-,27?/m1/s1