ethanedioic acid; ethyl (1S,3R,4S)-4-azanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl (1S,3R,4S)-4-azanyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl (1S,3R,4S)-4-amino-3-(tert-butoxycarbonylamino)cyclohexanecarboxylate; oxalic acid CAS Name: (1S,3R,4S)-4-amino-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl (1S,3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate; oxalic acid Traditional Name: (1S,3R,4S)-4-amino-3-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid ethyl ester; oxalic acid Formula: C16H28N2O8 MolecularWeight: 376.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(C(C1)NC(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)[C@H]1CC[C@@H]([C@@H](C1)NC(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H26N2O4.C2H2O4/c1-5-19-12(17)9-6-7-10(15)11(8-9)16-13(18)20-14(2,3)4;3-1(4)2(5)6/h9-11H,5-8,15H2,1-4H3,(H,16,18);(H,3,4)(H,5,6)/t9-,10-,11+;/m0./s1