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

Systemtic Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl butanoate Openeye Name: 2-ethyl-1-methyl-piperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl butanoate CAS Name: butanoic acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester; 2-ethyl-1-methylpiperidine IUPAC Name: 2-ethyl-1-methylpiperidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl butanoate Traditional Name: butyric acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester; 2-ethyl-1-methyl-piperidine Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O3.C8H17N/c1-2-3-10(11)13-9-6-7-4-5-8(9)12-7;1-3-8-6-4-5-7-9(8)2/h4-6H,2-3H2,1H3;8H,3-7H2,1-2H3