(2S,3S)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-phenethyl-cyclopentan-1-one

Systemtic Name: (2S,3S)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-phenethyl-cyclopentan-1-one Openeye Name: (2S,3S)-3-[(1R)-1,5-dimethylhexyl]-2-methyl-2-phenethyl-cyclopentanone CAS Name: (2S,3S)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-phenethyl-1-cyclopentanone IUPAC Name: (2S,3S)-2-methyl-3-[(2R)-6-methylheptan-2-yl]-2-phenethylcyclopentan-1-one Traditional Name: (2S,3S)-3-[(1R)-1,5-dimethylhexyl]-2-methyl-2-phenethyl-cyclopentanone Formula: C22H34O MolecularWeight: 314.50476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC(=O)C1(C)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H](CCCC(C)C)[C@@H]1CCC(=O)[C@@]1(C)CCC2=CC=CC=C2

InChI

InChI=1S/C22H34O/c1-17(2)9-8-10-18(3)20-13-14-21(23)22(20,4)16-15-19-11-6-5-7-12-19/h5-7,11-12,17-18,20H,8-10,13-16H2,1-4H3/t18-,20+,22+/m1/s1