(E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol Openeye Name: 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol Traditional Name: 1-(tert-butylamino)-3-[4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol; fumaric acid Formula: C22H31N3O6 MolecularWeight: 433.49804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N1)CC2=CC=C(C=C2)OCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CN=C(N1)CC2=CC=C(C=C2)OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H27N3O2.C4H4O4/c1-13-10-19-17(21-13)9-14-5-7-16(8-6-14)23-12-15(22)11-20-18(2,3)4;5-3(6)1-2-4(7)8/h5-8,10,15,20,22H,9,11-12H2,1-4H3,(H,19,21);1-2H,(H,5,6)(H,7,8)/b;2-1+