3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cycloheptan-1-ol

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cycloheptan-1-ol Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cycloheptanol CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cycloheptanol IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cycloheptan-1-ol Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cycloheptanol Formula: C29H42O2 MolecularWeight: 422.64258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCCC(C2)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCCC(C2)O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H42O2/c1-4-5-6-12-19-29(2,3)25-17-18-27(24-15-10-11-16-26(30)20-24)28(21-25)31-22-23-13-8-7-9-14-23/h7-9,13-14,17-18,21,24,26,30H,4-6,10-12,15-16,19-20,22H2,1-3H3