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

Systemtic Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine Openeye Name: fumaric acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine CAS Name: (E)-2-butenedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine IUPAC Name: (E)-but-2-enedioic acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-amine Traditional Name: fumaric acid; 2,3,4,5-tetrahydro-1H-1-benzazepin-3-ylamine Formula: C24H32N4O4 MolecularWeight: 440.53528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2NCC1N.C1CC2=CC=CC=C2NCC1N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2NCC1N.C1CC2=CC=CC=C2NCC1N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C10H14N2.C4H4O4/c2*11-9-6-5-8-3-1-2-4-10(8)12-7-9;5-3(6)1-2-4(7)8/h2*1-4,9,12H,5-7,11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+