(E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethanamine Openeye Name: fumaric acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethanamine CAS Name: (E)-2-butenedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethanamine IUPAC Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethanamine Traditional Name: fumaric acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylmethylamine Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NCC1CN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2NCC1CN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H16N2.C4H4O4/c12-7-9-5-6-10-3-1-2-4-11(10)13-8-9;5-3(6)1-2-4(7)8/h1-4,9,13H,5-8,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+