(3S,4S)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one

Systemtic Name: (3S,4S)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexan-1-one Openeye Name: (3S,4S)-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4-methyl-cyclohexanone CAS Name: (3S,4S)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanone IUPAC Name: (3S,4S)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexan-1-one Traditional Name: (3S,4S)-3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4-methyl-cyclohexanone Formula: C29H40O2 MolecularWeight: 420.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC2C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CC(=O)CC[C@@H]2C)OCC3=CC=CC=C3

InChI

InChI=1S/C29H40O2/c1-5-6-7-11-18-29(3,4)24-15-17-26(27-20-25(30)16-14-22(27)2)28(19-24)31-21-23-12-9-8-10-13-23/h8-10,12-13,15,17,19,22,27H,5-7,11,14,16,18,20-21H2,1-4H3/t22-,27-/m0/s1