dimethyl 2-[(S)-(4-cyanophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-(4-cyanophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: dimethyl 2-[(S)-(4-cyanophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-(4-cyanophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-(4-cyanophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-(4-cyanophenyl)-[(1S)-2-ketocyclohexyl]methyl]malonic acid dimethyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCCC1=O)C2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C19H21NO5/c1-24-18(22)17(19(23)25-2)16(14-5-3-4-6-15(14)21)13-9-7-12(11-20)8-10-13/h7-10,14,16-17H,3-6H2,1-2H3/t14-,16+/m1/s1