methyl 2-pentanoylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate

Systemtic Name: methyl 2-pentanoylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate Openeye Name: methyl 2-pentanoylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate CAS Name: 2-(1-oxopentyl)-3-bicyclo[2.2.1]hepta-2,5-dienecarboxylic acid methyl ester IUPAC Name: methyl 2-pentanoylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate Traditional Name: 2-valerylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C2CC1C=C2)C(=O)OC

Isomeric SMILES

CCCCC(=O)C1=C(C2CC1C=C2)C(=O)OC

InChI

InChI=1S/C14H18O3/c1-3-4-5-11(15)12-9-6-7-10(8-9)13(12)14(16)17-2/h6-7,9-10H,3-5,8H2,1-2H3