(E)-but-2-enedioic acid; 2-phenyl-3-[5-(propan-2-ylamino)pentoxy]-3H-isoindol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 2-phenyl-3-[5-(propan-2-ylamino)pentoxy]-3H-isoindol-1-one Openeye Name: fumaric acid; 3-[5-(isopropylamino)pentoxy]-2-phenyl-isoindolin-1-one CAS Name: (E)-2-butenedioic acid; 2-phenyl-3-[5-(propan-2-ylamino)pentoxy]-3H-isoindol-1-one IUPAC Name: (E)-but-2-enedioic acid; 2-phenyl-3-[5-(propan-2-ylamino)pentoxy]-3H-isoindol-1-one Traditional Name: fumaric acid; 3-[5-(isopropylamino)pentoxy]-2-phenyl-isoindolin-1-one Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCCOC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCCCCCOC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2O2.C4H4O4/c1-17(2)23-15-9-4-10-16-26-22-20-14-8-7-13-19(20)21(25)24(22)18-11-5-3-6-12-18;5-3(6)1-2-4(7)8/h3,5-8,11-14,17,22-23H,4,9-10,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+