(E)-but-2-enedioic acid; [2-[(tert-butylamino)methyl]pyridin-3-yl]methanol

Systemtic Name: (E)-but-2-enedioic acid; [2-[(tert-butylamino)methyl]pyridin-3-yl]methanol Openeye Name: [2-[(tert-butylamino)methyl]-3-pyridyl]methanol; fumaric acid CAS Name: (E)-2-butenedioic acid; [2-[(tert-butylamino)methyl]-3-pyridinyl]methanol IUPAC Name: (E)-but-2-enedioic acid; [2-[(tert-butylamino)methyl]pyridin-3-yl]methanol Traditional Name: [2-[(tert-butylamino)methyl]-3-pyridyl]methanol; fumaric acid Formula: C15H22N2O5 MolecularWeight: 310.34558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC1=C(C=CC=N1)CO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC1=C(C=CC=N1)CO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H18N2O.C4H4O4/c1-11(2,3)13-7-10-9(8-14)5-4-6-12-10;5-3(6)1-2-4(7)8/h4-6,13-14H,7-8H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+