(E)-but-2-enedioic acid; 3-(2-diethylaminoethyloxy)-2-phenyl-3H-isoindol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-diethylaminoethyloxy)-2-phenyl-3H-isoindol-1-one Openeye Name: 3-(2-diethylaminoethyloxy)-2-phenyl-isoindolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-diethylaminoethyloxy)-2-phenyl-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 3-(2-diethylaminoethyloxy)-2-phenyl-3H-isoindol-1-one Traditional Name: 3-(2-diethylaminoethyloxy)-2-phenyl-isoindolin-1-one; fumaric acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCOC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2O2.C4H4O4/c1-3-21(4-2)14-15-24-20-18-13-9-8-12-17(18)19(23)22(20)16-10-6-5-7-11-16;5-3(6)1-2-4(7)8/h5-13,20H,3-4,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+