(E)-but-2-enedioic acid; 1-(1H-indol-4-yloxy)-3-(2-methyl-4-naphthalen-2-yl-piperidin-1-yl)propan-2-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(1H-indol-4-yloxy)-3-(2-methyl-4-naphthalen-2-yl-piperidin-1-yl)propan-2-ol Openeye Name: fumaric acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(2-naphthyl)-1-piperidyl]propan-2-ol CAS Name: (E)-2-butenedioic acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(2-naphthalenyl)-1-piperidinyl]-2-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(1H-indol-4-yloxy)-3-(2-methyl-4-naphthalen-2-ylpiperidin-1-yl)propan-2-ol Traditional Name: fumaric acid; 1-(1H-indol-4-yloxy)-3-[2-methyl-4-(2-naphthyl)piperidino]propan-2-ol Formula: C31H34N2O6 MolecularWeight: 530.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC5=CC=CC=C5C=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC5=CC=CC=C5C=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H30N2O2.C4H4O4/c1-19-15-23(22-10-9-20-5-2-3-6-21(20)16-22)12-14-29(19)17-24(30)18-31-27-8-4-7-26-25(27)11-13-28-26;5-3(6)1-2-4(7)8/h2-11,13,16,19,23-24,28,30H,12,14-15,17-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+