(E)-but-2-enedioic acid; tert-butyl 2-[(4R,6R)-6-(2-azanylethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate

Systemtic Name: (E)-but-2-enedioic acid; tert-butyl 2-[(4R,6R)-6-(2-azanylethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate Openeye Name: tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate; fumaric acid CAS Name: 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester; fumaric acid Formula: C18H31NO8 MolecularWeight: 389.44064

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CCN)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1(O[C@@H](C[C@@H](O1)CC(=O)OC(C)(C)C)CCN)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H27NO4.C4H4O4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11;5-3(6)1-2-4(7)8/h10-11H,6-9,15H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t10-,11-;/m1./s1