[(1R,2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl hexanoate

Systemtic Name: [(1R,2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl hexanoate Openeye Name: [(1R,2R)-2-(tert-butoxycarbonylamino)-2-cyano-cyclopropyl]methyl hexanoate CAS Name: hexanoic acid [(1R,2R)-2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]cyclopropyl]methyl ester IUPAC Name: [(1R,2R)-2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]methyl hexanoate Traditional Name: hexanoic acid [(1R,2R)-2-(tert-butoxycarbonylamino)-2-cyano-cyclopropyl]methyl ester Formula: C16H26N2O4 MolecularWeight: 310.38864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC1CC1(C#N)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)OC[C@@H]1C[C@@]1(C#N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H26N2O4/c1-5-6-7-8-13(19)21-10-12-9-16(12,11-17)18-14(20)22-15(2,3)4/h12H,5-10H2,1-4H3,(H,18,20)/t12-,16-/m0/s1