(E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol Openeye Name: fumaric acid; 3-(1-methyl-4-piperidyl)indan-1-ol CAS Name: (E)-2-butenedioic acid; 3-(1-methyl-4-piperidinyl)-2,3-dihydro-1H-inden-1-ol IUPAC Name: (E)-but-2-enedioic acid; 3-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-inden-1-ol Traditional Name: fumaric acid; 3-(1-methyl-4-piperidyl)indan-1-ol Formula: C34H46N2O6 MolecularWeight: 578.73884

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CC(C3=CC=CC=C23)O.CN1CCC(CC1)C2CC(C3=CC=CC=C23)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2CC(C3=CC=CC=C23)O.CN1CCC(CC1)C2CC(C3=CC=CC=C23)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H21NO.C4H4O4/c2*1-16-8-6-11(7-9-16)14-10-15(17)13-5-3-2-4-12(13)14;5-3(6)1-2-4(7)8/h2*2-5,11,14-15,17H,6-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+