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

Systemtic Name: diethyl 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: diethyl 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(S)-(4-methoxyphenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-(4-methoxyphenyl)methyl]malonic acid diethyl ester Formula: C21H28O6 MolecularWeight: 376.44342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28O6/c1-4-26-20(23)19(21(24)27-5-2)18(16-8-6-7-9-17(16)22)14-10-12-15(25-3)13-11-14/h10-13,16,18-19H,4-9H2,1-3H3/t16-,18+/m1/s1