3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid

Systemtic Name: 3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Openeye Name: 3-(2-aminophenyl)-2-[2-(isopropylamino)ethyl]isoindolin-1-one; fumaric acid CAS Name: 3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one; (E)-2-butenedioic acid IUPAC Name: 3-(2-aminophenyl)-2-[2-(propan-2-ylamino)ethyl]-3H-isoindol-1-one; (E)-but-2-enedioic acid Traditional Name: 3-(2-aminophenyl)-2-[2-(isopropylamino)ethyl]isoindolin-1-one; fumaric acid Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23N3O.C4H4O4/c1-13(2)21-11-12-22-18(16-9-5-6-10-17(16)20)14-7-3-4-8-15(14)19(22)23;5-3(6)1-2-4(7)8/h3-10,13,18,21H,11-12,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+