ethyl 2-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-3-hydroxy-propanoate CAS Name: 2-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-3-hydroxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-3-hydroxypropanoate Traditional Name: 2-(4-tert-butylbenzyl)-3-(4-fluorophenyl)-3-hydroxy-propionic acid ethyl ester Formula: C22H27FO3 MolecularWeight: 358.446383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(C)(C)C)C(C2=CC=C(C=C2)F)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(C)(C)C)C(C2=CC=C(C=C2)F)O

InChI

InChI=1S/C22H27FO3/c1-5-26-21(25)19(20(24)16-8-12-18(23)13-9-16)14-15-6-10-17(11-7-15)22(2,3)4/h6-13,19-20,24H,5,14H2,1-4H3