5-azanyl-2-(oxan-2-ylmethylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol; (E)-but-2-enedioic acid

Systemtic Name: 5-azanyl-2-(oxan-2-ylmethylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol; (E)-but-2-enedioic acid Openeye Name: 5-amino-2-(tetrahydropyran-2-ylmethylamino)tetralin-1,6-diol; fumaric acid CAS Name: 5-amino-2-(2-oxanylmethylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol; (E)-2-butenedioic acid IUPAC Name: 5-amino-2-(oxan-2-ylmethylamino)-1,2,3,4-tetrahydronaphthalene-1,6-diol; (E)-but-2-enedioic acid Traditional Name: 5-amino-2-(tetrahydropyran-2-ylmethylamino)tetralin-1,6-diol; fumaric acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CNC2CCC3=C(C2O)C=CC(=C3N)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCOC(C1)CNC2CCC3=C(C2O)C=CC(=C3N)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2O3.C4H4O4/c17-15-11-4-6-13(16(20)12(11)5-7-14(15)19)18-9-10-3-1-2-8-21-10;5-3(6)1-2-4(7)8/h5,7,10,13,16,18-20H,1-4,6,8-9,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+