(phenylmethyl) 6-ethyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: (phenylmethyl) 6-ethyl-2-methyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: benzyl 6-ethyl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 6-ethyl-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: 6-ethyl-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid benzyl ester Formula: C17H20O3 MolecularWeight: 272.3389

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=O)C=C(C1C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCC1CC(=O)C=C(C1C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C17H20O3/c1-3-14-10-15(18)9-12(2)16(14)17(19)20-11-13-7-5-4-6-8-13/h4-9,14,16H,3,10-11H2,1-2H3