(E)-but-2-enedioic acid; 4-methyl-2-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazepin-5-one

Systemtic Name: (E)-but-2-enedioic acid; 4-methyl-2-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazepin-5-one Openeye Name: fumaric acid; 4-methyl-2-(2-morpholinoethyl)-2,3-dihydro-1,4-benzoxazepin-5-one CAS Name: (E)-2-butenedioic acid; 4-methyl-2-[2-(4-morpholinyl)ethyl]-2,3-dihydro-1,4-benzoxazepin-5-one IUPAC Name: (E)-but-2-enedioic acid; 4-methyl-2-(2-morpholin-4-ylethyl)-2,3-dihydro-1,4-benzoxazepin-5-one Traditional Name: fumaric acid; 4-methyl-2-(2-morpholinoethyl)-2,3-dihydro-1,4-benzoxazepin-5-one Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=CC=CC=C2C1=O)CCN3CCOCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CC(OC2=CC=CC=C2C1=O)CCN3CCOCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H22N2O3.C4H4O4/c1-17-12-13(6-7-18-8-10-20-11-9-18)21-15-5-3-2-4-14(15)16(17)19;5-3(6)1-2-4(7)8/h2-5,13H,6-12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+