methyl (1S,2R)-2-phenacylcyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R)-2-phenacylcyclohexane-1-carboxylate Openeye Name: methyl (1S,2R)-2-phenacylcyclohexanecarboxylate CAS Name: (1S,2R)-2-phenacyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-phenacylcyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-phenacylcyclohexanecarboxylic acid methyl ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC1CC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H]1CCCC[C@@H]1CC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20O3/c1-19-16(18)14-10-6-5-9-13(14)11-15(17)12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-,14+/m1/s1