(E)-but-2-enedioic acid; tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate

Systemtic Name: (E)-but-2-enedioic acid; tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate Openeye Name: tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methyl-N-[(1S,2R)-2-(1-pyrrolidinyl)cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: (E)-but-2-enedioic acid; tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate Traditional Name: fumaric acid; N-methyl-N-[(1S,2R)-2-pyrrolidinocyclohexyl]carbamic acid tert-butyl ester Formula: C20H34N2O6 MolecularWeight: 398.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1CCCCC1N2CCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)[C@H]1CCCC[C@H]1N2CCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H30N2O2.C4H4O4/c1-16(2,3)20-15(19)17(4)13-9-5-6-10-14(13)18-11-7-8-12-18;5-3(6)1-2-4(7)8/h13-14H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t13-,14+;/m0./s1