(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one Openeye Name: 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one Traditional Name: 3-(2-dimethylaminoethyl)-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one; fumaric acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC2=CC=CC=C2C1=O)CCN(C)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(CCC2=CC=CC=C2C1=O)CCN(C)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2O.C4H4O4/c1-16(2)11-10-13-9-8-12-6-4-5-7-14(12)15(18)17(13)3;5-3(6)1-2-4(7)8/h4-7,13H,8-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+