(E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(3-phenylpyrazin-2-yl)oxy-propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(3-phenylpyrazin-2-yl)oxy-propan-2-ol Openeye Name: 1-(tert-butylamino)-3-(3-phenylpyrazin-2-yl)oxy-propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-[(3-phenyl-2-pyrazinyl)oxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(3-phenylpyrazin-2-yl)oxypropan-2-ol Traditional Name: 1-(tert-butylamino)-3-(3-phenylpyrazin-2-yl)oxy-propan-2-ol; fumaric acid Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NC=CN=C1C2=CC=CC=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)NCC(COC1=NC=CN=C1C2=CC=CC=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23N3O2.C4H4O4/c1-17(2,3)20-11-14(21)12-22-16-15(18-9-10-19-16)13-7-5-4-6-8-13;5-3(6)1-2-4(7)8/h4-10,14,20-21H,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+