(1S,2R)-2-(phenylcarbonyl)cycloheptane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-(phenylcarbonyl)cycloheptane-1-carboxylic acid Openeye Name: (1S,2R)-2-benzoylcycloheptanecarboxylic acid CAS Name: (1S,2R)-2-benzoyl-1-cycloheptanecarboxylic acid IUPAC Name: (1S,2R)-2-benzoylcycloheptane-1-carboxylic acid Traditional Name: (1S,2R)-2-benzoylcycloheptanecarboxylic acid Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(CC1)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC[C@H]([C@H](CC1)C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H18O3/c16-14(11-7-3-1-4-8-11)12-9-5-2-6-10-13(12)15(17)18/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,17,18)/t12-,13+/m1/s1