(E)-but-2-enedioic acid; 2-(dimethylamino)-4-naphthalen-1-yloxy-butan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 2-(dimethylamino)-4-naphthalen-1-yloxy-butan-1-ol Openeye Name: 2-(dimethylamino)-4-(1-naphthyloxy)butan-1-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(dimethylamino)-4-(1-naphthalenyloxy)-1-butanol IUPAC Name: (E)-but-2-enedioic acid; 2-(dimethylamino)-4-naphthalen-1-yloxybutan-1-ol Traditional Name: 2-(dimethylamino)-4-(1-naphthoxy)butan-1-ol; fumaric acid Formula: C20H25NO6 MolecularWeight: 375.4156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CCOC1=CC=CC2=CC=CC=C21)CO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)C(CCOC1=CC=CC2=CC=CC=C21)CO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C16H21NO2.C4H4O4/c1-17(2)14(12-18)10-11-19-16-9-5-7-13-6-3-4-8-15(13)16;5-3(6)1-2-4(7)8/h3-9,14,18H,10-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+