3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-prop-2-enyl-cycloheptan-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-4-prop-2-enyl-cycloheptan-1-one Openeye Name: 4-allyl-3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cycloheptanone CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enyl-1-cycloheptanone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-4-prop-2-enylcycloheptan-1-one Traditional Name: 4-allyl-3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cycloheptanone Formula: C32H44O2 MolecularWeight: 460.69056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCCC2CC=C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=O)CCCC2CC=C)OCC3=CC=CC=C3

InChI

InChI=1S/C32H44O2/c1-5-7-8-12-21-32(3,4)27-19-20-29(30-23-28(33)18-13-17-26(30)14-6-2)31(22-27)34-24-25-15-10-9-11-16-25/h6,9-11,15-16,19-20,22,26,30H,2,5,7-8,12-14,17-18,21,23-24H2,1,3-4H3