ethyl 4-pentanoylbenzoate

Systemtic Name: ethyl 4-pentanoylbenzoate Openeye Name: ethyl 4-pentanoylbenzoate CAS Name: 4-(1-oxopentyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-pentanoylbenzoate Traditional Name: 4-valerylbenzoic acid ethyl ester Formula: C14H18O3 MolecularWeight: 234.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=CC=C(C=C1)C(=O)OCC

Isomeric SMILES

CCCCC(=O)C1=CC=C(C=C1)C(=O)OCC

InChI

InChI=1S/C14H18O3/c1-3-5-6-13(15)11-7-9-12(10-8-11)14(16)17-4-2/h7-10H,3-6H2,1-2H3