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

Systemtic Name: ethyl (1S,2R)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R)-1-(tert-butoxycarbonylamino)-2-ethynyl-cyclopropanecarboxylate CAS Name: (1S,2R)-2-ethynyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-2-ethynyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate Traditional Name: (1S,2R)-1-(tert-butoxycarbonylamino)-2-ethynyl-cyclopropanecarboxylic acid ethyl ester Formula: C13H19NO4 MolecularWeight: 253.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C#C)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-6-9-8-13(9,10(15)17-7-2)14-11(16)18-12(3,4)5/h1,9H,7-8H2,2-5H3,(H,14,16)/t9-,13-/m0/s1