3-(2-azanyl-5-propan-2-yl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one; (E)-but-2-enedioic acid

Systemtic Name: 3-(2-azanyl-5-propan-2-yl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one; (E)-but-2-enedioic acid Openeye Name: 3-(2-amino-5-isopropyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one; fumaric acid CAS Name: 3-(2-amino-5-propan-2-ylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one; (E)-2-butenedioic acid IUPAC Name: 3-(2-amino-5-propan-2-ylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one; (E)-but-2-enedioic acid Traditional Name: 3-(2-amino-5-isopropyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one; fumaric acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(C)C)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(C)C)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H31N3O.C4H4O4/c1-5-25(6-2)13-14-26-22(18-9-7-8-10-19(18)23(26)27)20-15-17(16(3)4)11-12-21(20)24;5-3(6)1-2-4(7)8/h7-12,15-16,22H,5-6,13-14,24H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+