(E)-but-2-enedioic acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol Openeye Name: fumaric acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol CAS Name: (E)-2-butenedioic acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol IUPAC Name: (E)-but-2-enedioic acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol Traditional Name: fumaric acid; 9-(phenethylamino)-1,2,3,4-tetrahydroacridin-1-ol Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCC4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCC4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22N2O.C4H4O4/c24-19-12-6-11-18-20(19)21(16-9-4-5-10-17(16)23-18)22-14-13-15-7-2-1-3-8-15;5-3(6)1-2-4(7)8/h1-5,7-10,19,24H,6,11-14H2,(H,22,23);1-2H,(H,5,6)(H,7,8)/b;2-1+