3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohept-2-en-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohept-2-en-1-one Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohept-2-en-1-one CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohept-2-enone IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohept-2-en-1-one Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohept-2-en-1-one Formula: C29H38O2 MolecularWeight: 418.61082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC(=O)CCCC2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2=CC(=O)CCCC2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H38O2/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/h7-9,13-14,17-18,20-21H,4-6,10-12,15-16,19,22H2,1-3H3