5-[5-(4-fluoranyl-3-phenoxy-phenyl)-2-methyl-pentan-2-yl]-1,3-benzodioxole

Systemtic Name: 5-[5-(4-fluoranyl-3-phenoxy-phenyl)-2-methyl-pentan-2-yl]-1,3-benzodioxole Openeye Name: 5-[4-(4-fluoro-3-phenoxy-phenyl)-1,1-dimethyl-butyl]-1,3-benzodioxole CAS Name: 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-1,3-benzodioxole IUPAC Name: 5-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]-1,3-benzodioxole Traditional Name: 5-[4-(4-fluoro-3-phenoxy-phenyl)-1,1-dimethyl-butyl]-1,3-benzodioxole Formula: C25H25FO3 MolecularWeight: 392.462603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(CCCC1=CC(=C(C=C1)F)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25FO3/c1-25(2,19-11-13-22-24(16-19)28-17-27-22)14-6-7-18-10-12-21(26)23(15-18)29-20-8-4-3-5-9-20/h3-5,8-13,15-16H,6-7,14,17H2,1-2H3