5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-3-propyl-cyclohex-2-en-1-one

Systemtic Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-3-propyl-cyclohex-2-en-1-one Openeye Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-propyl-cyclohex-2-en-1-one CAS Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-3-propyl-1-cyclohex-2-enone IUPAC Name: 5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-3-propylcyclohex-2-en-1-one Traditional Name: 5-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-3-propyl-cyclohex-2-en-1-one Formula: C31H42O2 MolecularWeight: 446.66398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=CC(=O)C2)CCC)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=CC(=O)C2)CCC)OCC3=CC=CC=C3

InChI

InChI=1S/C31H42O2/c1-5-7-8-12-18-31(3,4)27-16-17-29(26-19-25(13-6-2)20-28(32)21-26)30(22-27)33-23-24-14-10-9-11-15-24/h9-11,14-17,20,22,26H,5-8,12-13,18-19,21,23H2,1-4H3