ethyl 4-[5-(4-fluoranyl-3-phenoxy-phenyl)-2-methyl-pentan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-(4-fluoranyl-3-phenoxy-phenyl)-2-methyl-pentan-2-yl]benzoate Openeye Name: ethyl 4-[4-(4-fluoro-3-phenoxy-phenyl)-1,1-dimethyl-butyl]benzoate CAS Name: 4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-fluoro-3-phenoxyphenyl)-2-methylpentan-2-yl]benzoate Traditional Name: 4-[4-(4-fluoro-3-phenoxy-phenyl)-1,1-dimethyl-butyl]benzoic acid ethyl ester Formula: C27H29FO3 MolecularWeight: 420.515763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C27H29FO3/c1-4-30-26(29)21-13-15-22(16-14-21)27(2,3)18-8-9-20-12-17-24(28)25(19-20)31-23-10-6-5-7-11-23/h5-7,10-17,19H,4,8-9,18H2,1-3H3