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

Systemtic Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl hexanoate Openeye Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl hexanoate CAS Name: 2-ethyl-1-methylpiperidine; hexanoic 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 hexanoate Traditional Name: 2-ethyl-1-methyl-piperidine; hexanoic acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O3.C8H17N/c1-2-3-4-5-12(13)15-11-8-9-6-7-10(11)14-9;1-3-8-6-4-5-7-9(8)2/h6-8H,2-5H2,1H3;8H,3-7H2,1-2H3