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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1CCCCC1=O)C2=CC=CC=C2C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=CC=C2C)C(=O)OCC

InChI

InChI=1S/C21H28O5/c1-4-25-20(23)19(21(24)26-5-2)18(15-11-7-6-10-14(15)3)16-12-8-9-13-17(16)22/h6-7,10-11,16,18-19H,4-5,8-9,12-13H2,1-3H3/t16-,18+/m1/s1