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

Systemtic Name: diethyl 2-[(S)-(4-bromophenyl)-[(1S)-2-oxidanylidenecyclohexyl]methyl]propanedioate Openeye Name: diethyl 2-[(S)-(4-bromophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate CAS Name: 2-[(S)-(4-bromophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(S)-(4-bromophenyl)-[(1S)-2-oxocyclohexyl]methyl]propanedioate Traditional Name: 2-[(S)-(4-bromophenyl)-[(1S)-2-ketocyclohexyl]methyl]malonic acid diethyl ester Formula: C20H25BrO5 MolecularWeight: 425.3135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrO5/c1-3-25-19(23)18(20(24)26-4-2)17(13-9-11-14(21)12-10-13)15-7-5-6-8-16(15)22/h9-12,15,17-18H,3-8H2,1-2H3/t15-,17+/m1/s1