(E)-but-2-enedioic acid; 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)-3H-isoindol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)-3H-isoindol-1-one Openeye Name: 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)isoindolin-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)-3H-isoindol-1-one Traditional Name: 3-(2-dimethylaminoethyloxy)-2-(7-methoxy-1,8-naphthyridin-2-yl)isoindolin-1-one; fumaric acid Formula: C25H26N4O7 MolecularWeight: 494.49654

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCOC1C2=CC=CC=C2C(=O)N1C3=NC4=C(C=C3)C=CC(=N4)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22N4O3.C4H4O4/c1-24(2)12-13-28-21-16-7-5-4-6-15(16)20(26)25(21)17-10-8-14-9-11-18(27-3)23-19(14)22-17;5-3(6)1-2-4(7)8/h4-11,21H,12-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+