(E)-but-2-enedioic acid; tert-butyl (2S)-2-(aminomethyl)-4,4-diethoxy-piperidine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; tert-butyl (2S)-2-(aminomethyl)-4,4-diethoxy-piperidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-(aminomethyl)-4,4-diethoxy-piperidine-1-carboxylate; fumaric acid CAS Name: (2S)-2-(aminomethyl)-4,4-diethoxy-1-piperidinecarboxylic acid tert-butyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; tert-butyl (2S)-2-(aminomethyl)-4,4-diethoxypiperidine-1-carboxylate Traditional Name: (2S)-2-(aminomethyl)-4,4-diethoxy-piperidine-1-carboxylic acid tert-butyl ester; fumaric acid Formula: C19H34N2O8 MolecularWeight: 418.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCN(C(C1)CN)C(=O)OC(C)(C)C)OCC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1(CCN([C@@H](C1)CN)C(=O)OC(C)(C)C)OCC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H30N2O4.C4H4O4/c1-6-19-15(20-7-2)8-9-17(12(10-15)11-16)13(18)21-14(3,4)5;5-3(6)1-2-4(7)8/h12H,6-11,16H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t12-;/m0./s1