(phenylmethyl) 4-oxidanylidenecycloheptane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-oxidanylidenecycloheptane-1-carboxylate Openeye Name: benzyl 4-oxocycloheptanecarboxylate CAS Name: 4-oxo-1-cycloheptanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-oxocycloheptane-1-carboxylate Traditional Name: 4-ketocycloheptanecarboxylic acid benzyl ester Formula: C15H18O3 MolecularWeight: 246.30162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC(=O)C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(CCC(=O)C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18O3/c16-14-8-4-7-13(9-10-14)15(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2