2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate

Systemtic Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate Openeye Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate CAS Name: 2-ethyl-1-methylpiperidine; heptanoic acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester IUPAC Name: 2-ethyl-1-methylpiperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate Traditional Name: enanthic acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester; 2-ethyl-1-methyl-piperidine Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCCN1C

Isomeric SMILES

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCCN1C

InChI

InChI=1S/C13H16O3.C8H17N/c1-2-3-4-5-6-13(14)16-12-9-10-7-8-11(12)15-10;1-3-8-6-4-5-7-9(8)2/h7-9H,2-6H2,1H3;8H,3-7H2,1-2H3