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

Systemtic Name: 3-ethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohex-2-en-1-one Openeye Name: 5-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-3-ethyl-cyclohex-2-en-1-one CAS Name: 3-ethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohex-2-enone IUPAC Name: 3-ethyl-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohex-2-en-1-one Traditional Name: 5-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-3-ethyl-cyclohex-2-en-1-one Formula: C30H40O2 MolecularWeight: 432.6374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H40O2/c1-5-7-8-12-17-30(3,4)26-15-16-28(25-18-23(6-2)19-27(31)20-25)29(21-26)32-22-24-13-10-9-11-14-24/h9-11,13-16,19,21,25H,5-8,12,17-18,20,22H2,1-4H3