(E)-but-2-enedioic acid; 1-isoquinolin-1-yloxy-3-(propan-2-ylamino)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-isoquinolin-1-yloxy-3-(propan-2-ylamino)propan-2-ol Openeye Name: fumaric acid; 1-(isopropylamino)-3-(1-isoquinolyloxy)propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(1-isoquinolinyloxy)-3-(propan-2-ylamino)-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-isoquinolin-1-yloxy-3-(propan-2-ylamino)propan-2-ol Traditional Name: fumaric acid; 1-(isopropylamino)-3-(1-isoquinolyloxy)propan-2-ol Formula: C19H24N2O6 MolecularWeight: 376.40366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=NC=CC2=CC=CC=C21)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=NC=CC2=CC=CC=C21)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H20N2O2.C4H4O4/c1-11(2)17-9-13(18)10-19-15-14-6-4-3-5-12(14)7-8-16-15;5-3(6)1-2-4(7)8/h3-8,11,13,17-18H,9-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+