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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CNC(=CC2=CC=CO2)CC1O

Isomeric SMILES

CC(=O)O.C1CN/C(=C/C2=CC=CO2)/CC1O

InChI

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