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

Systemtic Name: 2-ethyl-1-methyl-pyrrolidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl pentanoate Openeye Name: 2-ethyl-1-methyl-pyrrolidine; 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl pentanoate CAS Name: 2-ethyl-1-methylpyrrolidine; pentanoic 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 pentanoate Traditional Name: 2-ethyl-1-methyl-pyrrolidine; valeric acid 7-oxabicyclo[2.2.1]hepta-1,3,5-trien-3-yl ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O3.C7H15N/c1-2-3-4-11(12)14-10-7-8-5-6-9(10)13-8;1-3-7-5-4-6-8(7)2/h5-7H,2-4H2,1H3;7H,3-6H2,1-2H3