(E)-but-2-enedioic acid; tert-butyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate

Systemtic Name: (E)-but-2-enedioic acid; tert-butyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(1-pyrrolidinyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: (E)-but-2-enedioic acid; tert-butyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate Traditional Name: fumaric acid; 3-pyrrolidinopiperidine-1-carboxylic acid tert-butyl ester Formula: C18H30N2O6 MolecularWeight: 370.4406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2CCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H26N2O2.C4H4O4/c1-14(2,3)18-13(17)16-10-6-7-12(11-16)15-8-4-5-9-15;5-3(6)1-2-4(7)8/h12H,4-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+