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

Systemtic Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(3-propylpyrazin-2-yl)oxy-propan-2-ol Openeye Name: 1-(tert-butylamino)-3-(3-propylpyrazin-2-yl)oxy-propan-2-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(tert-butylamino)-3-[(3-propyl-2-pyrazinyl)oxy]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(tert-butylamino)-3-(3-propylpyrazin-2-yl)oxypropan-2-ol Traditional Name: 1-(tert-butylamino)-3-(3-propylpyrazin-2-yl)oxy-propan-2-ol; fumaric acid Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CN=C1OCC(CNC(C)(C)C)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=NC=CN=C1OCC(CNC(C)(C)C)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H25N3O2.C4H4O4/c1-5-6-12-13(16-8-7-15-12)19-10-11(18)9-17-14(2,3)4;5-3(6)1-2-4(7)8/h7-8,11,17-18H,5-6,9-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+