[(E,1R,7R)-1-cyclohexyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enyl] benzoate

Systemtic Name: [(E,1R,7R)-1-cyclohexyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enyl] benzoate Openeye Name: [(E,1R,7R)-7-(tert-butoxycarbonylamino)-1-cyclohexyl-oct-2-enyl] benzoate CAS Name: benzoic acid [(E,1R,7R)-1-cyclohexyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]oct-2-enyl] ester IUPAC Name: [(E,1R,7R)-1-cyclohexyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enyl] benzoate Traditional Name: benzoic acid [(E,1R,7R)-7-(tert-butoxycarbonylamino)-1-cyclohexyl-oct-2-enyl] ester Formula: C26H39NO4 MolecularWeight: 429.59216

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC=CC(C1CCCCC1)OC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

C[C@H](CCC/C=C/[C@@H](C1CCCCC1)OC(=O)C2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H39NO4/c1-20(27-25(29)31-26(2,3)4)14-8-5-13-19-23(21-15-9-6-10-16-21)30-24(28)22-17-11-7-12-18-22/h7,11-13,17-21,23H,5-6,8-10,14-16H2,1-4H3,(H,27,29)/b19-13+/t20-,23+/m1/s1