1-[(1R,2R,5S)-2-methyl-2-phenylmethoxy-5-propan-2-yl-cyclohexyl]butan-2-one

Systemtic Name: 1-[(1R,2R,5S)-2-methyl-2-phenylmethoxy-5-propan-2-yl-cyclohexyl]butan-2-one Openeye Name: 1-[(1R,2R,5S)-2-benzyloxy-5-isopropyl-2-methyl-cyclohexyl]butan-2-one CAS Name: 1-[(1R,2R,5S)-2-methyl-2-phenylmethoxy-5-propan-2-ylcyclohexyl]-2-butanone IUPAC Name: 1-[(1R,2R,5S)-2-methyl-2-phenylmethoxy-5-propan-2-ylcyclohexyl]butan-2-one Traditional Name: 1-[(1R,2R,5S)-2-benzoxy-5-isopropyl-2-methyl-cyclohexyl]butan-2-one Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC1CC(CCC1(C)OCC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCC(=O)C[C@H]1C[C@H](CC[C@@]1(C)OCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H32O2/c1-5-20(22)14-19-13-18(16(2)3)11-12-21(19,4)23-15-17-9-7-6-8-10-17/h6-10,16,18-19H,5,11-15H2,1-4H3/t18-,19+,21+/m0/s1