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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCN1C

Isomeric SMILES

CCCCCCC(=O)OC1=C2C=CC(=C1)O2.CCC1CCCN1C

InChI

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