(E)-but-2-enedioic acid; 3-phenoxy-1-(4-quinolin-3-ylpiperidin-1-yl)propan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 3-phenoxy-1-(4-quinolin-3-ylpiperidin-1-yl)propan-1-ol Openeye Name: fumaric acid; 3-phenoxy-1-[4-(3-quinolyl)-1-piperidyl]propan-1-ol CAS Name: (E)-2-butenedioic acid; 3-phenoxy-1-[4-(3-quinolinyl)-1-piperidinyl]-1-propanol IUPAC Name: (E)-but-2-enedioic acid; 3-phenoxy-1-(4-quinolin-3-ylpiperidin-1-yl)propan-1-ol Traditional Name: fumaric acid; 3-phenoxy-1-[4-(3-quinolyl)piperidino]propan-1-ol Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3N=C2)C(CCOC4=CC=CC=C4)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3N=C2)C(CCOC4=CC=CC=C4)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H26N2O2.C4H4O4/c26-23(12-15-27-21-7-2-1-3-8-21)25-13-10-18(11-14-25)20-16-19-6-4-5-9-22(19)24-17-20;5-3(6)1-2-4(7)8/h1-9,16-18,23,26H,10-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+