[(E,2R,3R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-oct-6-en-3-yl] benzoate

Systemtic Name: [(E,2R,3R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxidanyl-oct-6-en-3-yl] benzoate Openeye Name: [(E,1R,2R)-1-[(1R)-1-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]-2-methyl-hex-4-enyl] benzoate CAS Name: benzoic acid [(E,2R,3R,4R)-1-hydroxy-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]oct-6-en-3-yl] ester IUPAC Name: [(E,2R,3R,4R)-1-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]oct-6-en-3-yl] benzoate Traditional Name: benzoic acid [(E,1R,2R)-1-[(1R)-1-(tert-butoxycarbonylamino)-2-hydroxy-ethyl]-2-methyl-hex-4-enyl] ester Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-6-7-11-15(2)18(26-19(24)16-12-9-8-10-13-16)17(14-23)22-20(25)27-21(3,4)5/h6-10,12-13,15,17-18,23H,11,14H2,1-5H3,(H,22,25)/b7-6+/t15-,17-,18-/m1/s1