diethyl 2-[(S)-(4-methylphenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate

Systemtic Name: diethyl 2-[(S)-(4-methylphenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: diethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-(p-tolyl)methyl]propanedioate CAS Name: 2-[(S)-(4-methylphenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(S)-(4-methylphenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(p-tolyl)methyl]malonic acid diethyl ester Formula: C21H28O5 MolecularWeight: 360.44402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1CCCCC1=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H28O5/c1-4-25-20(23)19(21(24)26-5-2)18(15-12-10-14(3)11-13-15)16-8-6-7-9-17(16)22/h10-13,16,18-19H,4-9H2,1-3H3/t16-,18+/m1/s1