(E)-but-2-enedioic acid; 2-[2-(diethylamino)propyl]-7-methoxy-4-phenyl-isoquinolin-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-[2-(diethylamino)propyl]-7-methoxy-4-phenyl-isoquinolin-1-one Openeye Name: 2-[2-(diethylamino)propyl]-7-methoxy-4-phenyl-isoquinolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[2-(diethylamino)propyl]-7-methoxy-4-phenyl-1-isoquinolinone IUPAC Name: (E)-but-2-enedioic acid; 2-[2-(diethylamino)propyl]-7-methoxy-4-phenylisoquinolin-1-one Traditional Name: 2-[2-(diethylamino)propyl]-7-methoxy-4-phenyl-isocarbostyril; fumaric acid Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)CN1C=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)C(C)CN1C=C(C2=C(C1=O)C=C(C=C2)OC)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H28N2O2.C4H4O4/c1-5-24(6-2)17(3)15-25-16-22(18-10-8-7-9-11-18)20-13-12-19(27-4)14-21(20)23(25)26;5-3(6)1-2-4(7)8/h7-14,16-17H,5-6,15H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+