tert-butyl (3R)-7-cyano-3-[(2R,4R)-4-oxidanylpentan-2-yl]oxy-heptanoate

Systemtic Name: tert-butyl (3R)-7-cyano-3-[(2R,4R)-4-oxidanylpentan-2-yl]oxy-heptanoate Openeye Name: tert-butyl (3R)-7-cyano-3-[(1R,3R)-3-hydroxy-1-methyl-butoxy]heptanoate CAS Name: (3R)-7-cyano-3-[(2R,4R)-4-hydroxypentan-2-yl]oxyheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-7-cyano-3-[(2R,4R)-4-hydroxypentan-2-yl]oxyheptanoate Traditional Name: (3R)-7-cyano-3-[(1R,3R)-3-hydroxy-1-methyl-butoxy]enanthic acid tert-butyl ester Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)OC(CCCCC#N)CC(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@H](C[C@@H](C)O[C@H](CCCCC#N)CC(=O)OC(C)(C)C)O

InChI

InChI=1S/C17H31NO4/c1-13(19)11-14(2)21-15(9-7-6-8-10-18)12-16(20)22-17(3,4)5/h13-15,19H,6-9,11-12H2,1-5H3/t13-,14-,15-/m1/s1