methyl 1-[2-(3-methoxyphenyl)ethyl]-2,5-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[2-(3-methoxyphenyl)ethyl]-2,5-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl 1-[2-(3-methoxyphenyl)ethyl]-2,5-dioxo-cyclohexanecarboxylate CAS Name: 1-[2-(3-methoxyphenyl)ethyl]-2,5-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methoxyphenyl)ethyl]-2,5-dioxocyclohexane-1-carboxylate Traditional Name: 2,5-diketo-1-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxylic acid methyl ester Formula: C17H20O5 MolecularWeight: 304.3377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2(CC(=O)CCC2=O)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CCC2(CC(=O)CCC2=O)C(=O)OC

InChI

InChI=1S/C17H20O5/c1-21-14-5-3-4-12(10-14)8-9-17(16(20)22-2)11-13(18)6-7-15(17)19/h3-5,10H,6-9,11H2,1-2H3