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

Systemtic Name: 2-ethylpiperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate Openeye Name: 2-ethylpiperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl heptanoate CAS Name: 2-ethylpiperidine; heptanoic acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester IUPAC Name: 2-ethylpiperidine; 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-ethylpiperidine Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCCN1

Isomeric SMILES

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCCN1

InChI

InChI=1S/C13H16O3.C7H15N/c1-2-3-4-5-6-13(14)16-12-9-10-7-8-11(12)15-10;1-2-7-5-3-4-6-8-7/h7-9H,2-6H2,1H3;7-8H,2-6H2,1H3