4,5-dimethyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cycloheptan-1-one

Systemtic Name: 4,5-dimethyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cycloheptan-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-4,5-dimethyl-cycloheptanone CAS Name: 4,5-dimethyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cycloheptanone IUPAC Name: 4,5-dimethyl-3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cycloheptan-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-4,5-dimethyl-cycloheptanone Formula: C31H44O2 MolecularWeight: 448.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC(C2C)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCC(C2C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C31H44O2/c1-6-7-8-12-19-31(4,5)26-16-18-28(29-21-27(32)17-15-23(2)24(29)3)30(20-26)33-22-25-13-10-9-11-14-25/h9-11,13-14,16,18,20,23-24,29H,6-8,12,15,17,19,21-22H2,1-5H3