(E)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropyl)-4-phenyl-isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropyl)-4-phenyl-isoquinolin-1-one Openeye Name: fumaric acid; 2-(3-morpholinopropyl)-4-phenyl-isoquinolin-1-one CAS Name: (E)-2-butenedioic acid; 2-[3-(4-morpholinyl)propyl]-4-phenyl-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 2-(3-morpholin-4-ylpropyl)-4-phenylisoquinolin-1-one Traditional Name: fumaric acid; 2-(3-morpholinopropyl)-4-phenyl-isocarbostyril Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCCN2C=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24N2O2.C4H4O4/c25-22-20-10-5-4-9-19(20)21(18-7-2-1-3-8-18)17-24(22)12-6-11-23-13-15-26-16-14-23;5-3(6)1-2-4(7)8/h1-5,7-10,17H,6,11-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1+