ethyl (1R,2S)-2-(cyanomethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1R,2S)-2-(cyanomethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Openeye Name: ethyl (1R,2S)-1-(tert-butoxycarbonylamino)-2-(cyanomethyl)cyclopropanecarboxylate CAS Name: (1R,2S)-2-(cyanomethyl)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,2S)-2-(cyanomethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Traditional Name: (1R,2S)-1-(tert-butoxycarbonylamino)-2-(cyanomethyl)cyclopropanecarboxylic acid ethyl ester Formula: C13H20N2O4 MolecularWeight: 268.3089

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1CC#N)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4/c1-5-18-10(16)13(8-9(13)6-7-14)15-11(17)19-12(2,3)4/h9H,5-6,8H2,1-4H3,(H,15,17)/t9-,13-/m1/s1