ethanoic acid; (3E)-3-(furan-2-ylmethylidene)piperidin-4-ol

Systemtic Name: ethanoic acid; (3E)-3-(furan-2-ylmethylidene)piperidin-4-ol Openeye Name: acetic acid; (3E)-3-(2-furylmethylene)piperidin-4-ol CAS Name: acetic acid; (3E)-3-(2-furanylmethylidene)-4-piperidinol IUPAC Name: acetic acid; (3E)-3-(furan-2-ylmethylidene)piperidin-4-ol Traditional Name: acetic acid; (3E)-3-(2-furfurylidene)piperidin-4-ol Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CNCC(=CC2=CC=CO2)C1O

Isomeric SMILES

CC(=O)O.C1CNC/C(=C\C2=CC=CO2)/C1O

InChI

InChI=1S/C10H13NO2.C2H4O2/c12-10-3-4-11-7-8(10)6-9-2-1-5-13-9;1-2(3)4/h1-2,5-6,10-12H,3-4,7H2;1H3,(H,3,4)/b8-6+;