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

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-3-yl)methanamine Openeye Name: fumaric acid; N-methyl-1-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-3-yl)methanamine CAS Name: (E)-2-butenedioic acid; N-methyl-1-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-3-yl)methanamine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-1-(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-3-yl)methanamine Traditional Name: fumaric acid; methyl-[(1-methyl-2,3,4,5-tetrahydro-1-benzazepin-3-yl)methyl]amine Formula: C30H44N4O4 MolecularWeight: 524.69476

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCC2=CC=CC=C2N(C1)C.CNCC1CCC2=CC=CC=C2N(C1)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1CCC2=CC=CC=C2N(C1)C.CNCC1CCC2=CC=CC=C2N(C1)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C13H20N2.C4H4O4/c2*1-14-9-11-7-8-12-5-3-4-6-13(12)15(2)10-11;5-3(6)1-2-4(7)8/h2*3-6,11,14H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+