2-[(1S,2R,3S)-3-butyl-2-(phenylcarbonyl)cyclohexyl]-1-phenyl-ethanone

Systemtic Name: 2-[(1S,2R,3S)-3-butyl-2-(phenylcarbonyl)cyclohexyl]-1-phenyl-ethanone Openeye Name: 2-[(1S,2R,3S)-2-benzoyl-3-butyl-cyclohexyl]-1-phenyl-ethanone CAS Name: 2-[(1S,2R,3S)-2-benzoyl-3-butylcyclohexyl]-1-phenylethanone IUPAC Name: 2-[(1S,2R,3S)-2-benzoyl-3-butylcyclohexyl]-1-phenylethanone Traditional Name: 2-[(1S,2R,3S)-2-benzoyl-3-butyl-cyclohexyl]-1-phenyl-ethanone Formula: C25H30O2 MolecularWeight: 362.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCCC(C1C(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]1CCC[C@H]([C@@H]1C(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H30O2/c1-2-3-11-20-16-10-17-22(18-23(26)19-12-6-4-7-13-19)24(20)25(27)21-14-8-5-9-15-21/h4-9,12-15,20,22,24H,2-3,10-11,16-18H2,1H3/t20-,22-,24+/m0/s1