(E)-but-2-enedioic acid; 10-[(4-piperidin-4-yloxyphenyl)amino]decan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 10-[(4-piperidin-4-yloxyphenyl)amino]decan-1-ol Openeye Name: fumaric acid; 10-[4-(4-piperidyloxy)anilino]decan-1-ol CAS Name: (E)-2-butenedioic acid; 10-[4-(4-piperidinyloxy)anilino]-1-decanol IUPAC Name: (E)-but-2-enedioic acid; 10-(4-piperidin-4-yloxyanilino)decan-1-ol Traditional Name: fumaric acid; 10-[4-(4-piperidyloxy)anilino]decan-1-ol Formula: C25H40N2O6 MolecularWeight: 464.5949

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)NCCCCCCCCCCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)NCCCCCCCCCCO.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H36N2O2.C4H4O4/c24-18-8-6-4-2-1-3-5-7-15-23-19-9-11-20(12-10-19)25-21-13-16-22-17-14-21;5-3(6)1-2-4(7)8/h9-12,21-24H,1-8,13-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1+