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

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine Openeye Name: fumaric acid; N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine CAS Name: (E)-2-butenedioic acid; N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine Traditional Name: fumaric acid; methyl(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)amine Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

CNC1CCC2=CC=CC=C2NC1.CNC1CCC2=CC=CC=C2NC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNC1CCC2=CC=CC=C2NC1.CNC1CCC2=CC=CC=C2NC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C11H16N2.C4H4O4/c2*1-12-10-7-6-9-4-2-3-5-11(9)13-8-10;5-3(6)1-2-4(7)8/h2*2-5,10,12-13H,6-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+