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

Systemtic Name: methyl (1S,2R)-2-phenacylcycloheptane-1-carboxylate Openeye Name: methyl (1S,2R)-2-phenacylcycloheptanecarboxylate CAS Name: (1S,2R)-2-phenacyl-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R)-2-phenacylcycloheptane-1-carboxylate Traditional Name: (1S,2R)-2-phenacylcycloheptanecarboxylic acid methyl ester Formula: C17H22O3 MolecularWeight: 274.35478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCCC1CC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-20-17(19)15-11-7-3-6-10-14(15)12-16(18)13-8-4-2-5-9-13/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3/t14-,15+/m1/s1