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

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[4-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol Openeye Name: 1-(tert-butylamino)-3-[4-[[5-(2-thienyl)-1H-imidazol-2-yl]methyl]phenoxy]propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-[4-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]phenoxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-[4-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]phenoxy]propan-2-ol Traditional Name: 1-(tert-butylamino)-3-[4-[[5-(2-thienyl)-1H-imidazol-2-yl]methyl]phenoxy]propan-2-ol; fumaric acid Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=C(C=C1)CC2=NC=C(N2)C3=CC=CS3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=C(C=C1)CC2=NC=C(N2)C3=CC=CS3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27N3O2S.C4H4O4/c1-21(2,3)23-12-16(25)14-26-17-8-6-15(7-9-17)11-20-22-13-18(24-20)19-5-4-10-27-19;5-3(6)1-2-4(7)8/h4-10,13,16,23,25H,11-12,14H2,1-3H3,(H,22,24);1-2H,(H,5,6)(H,7,8)/b;2-1+