(E)-but-2-enedioic acid; 1-(4-methoxyphenyl)-3-piperidin-4-yl-propan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-methoxyphenyl)-3-piperidin-4-yl-propan-1-ol Openeye Name: fumaric acid; 1-(4-methoxyphenyl)-3-(4-piperidyl)propan-1-ol CAS Name: (E)-2-butenedioic acid; 1-(4-methoxyphenyl)-3-(4-piperidinyl)-1-propanol IUPAC Name: (E)-but-2-enedioic acid; 1-(4-methoxyphenyl)-3-piperidin-4-ylpropan-1-ol Traditional Name: fumaric acid; 1-(4-methoxyphenyl)-3-(4-piperidyl)propan-1-ol Formula: C23H31NO10 MolecularWeight: 481.49294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCC2CCNCC2)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(O)CCC2CCNCC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23NO2.2C4H4O4/c1-18-14-5-3-13(4-6-14)15(17)7-2-12-8-10-16-11-9-12;2*5-3(6)1-2-4(7)8/h3-6,12,15-17H,2,7-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+