(2S,3R,6S)-3-methyl-2-(3-oxidanylidenebutyl)-6-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one

Systemtic Name: (2S,3R,6S)-3-methyl-2-(3-oxidanylidenebutyl)-6-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one Openeye Name: (2S,3R,6S)-6-[(1R)-2-benzyloxy-1-methyl-ethyl]-3-methyl-2-(3-oxobutyl)cyclohexanone CAS Name: (2S,3R,6S)-3-methyl-2-(3-oxobutyl)-6-[(2R)-1-phenylmethoxypropan-2-yl]-1-cyclohexanone IUPAC Name: (2S,3R,6S)-3-methyl-2-(3-oxobutyl)-6-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one Traditional Name: (2S,3R,6S)-6-[(1R)-2-benzoxy-1-methyl-ethyl]-2-(3-ketobutyl)-3-methyl-cyclohexanone Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1CCC(=O)C)C(C)COCC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)[C@H]1CCC(=O)C)[C@@H](C)COCC2=CC=CC=C2

InChI

InChI=1S/C21H30O3/c1-15-9-11-20(21(23)19(15)12-10-17(3)22)16(2)13-24-14-18-7-5-4-6-8-18/h4-8,15-16,19-20H,9-14H2,1-3H3/t15-,16+,19+,20+/m1/s1