ethyl 2-[1-(4-bromophenyl)-1-oxidanyl-ethyl]-5-phenyl-pentanoate

Systemtic Name: ethyl 2-[1-(4-bromophenyl)-1-oxidanyl-ethyl]-5-phenyl-pentanoate Openeye Name: ethyl 2-[1-(4-bromophenyl)-1-hydroxy-ethyl]-5-phenyl-pentanoate CAS Name: 2-[1-(4-bromophenyl)-1-hydroxyethyl]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-bromophenyl)-1-hydroxyethyl]-5-phenylpentanoate Traditional Name: 2-[1-(4-bromophenyl)-1-hydroxy-ethyl]-5-phenyl-valeric acid ethyl ester Formula: C21H25BrO3 MolecularWeight: 405.3254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=CC=C1)C(C)(C2=CC=C(C=C2)Br)O

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=CC=C1)C(C)(C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H25BrO3/c1-3-25-20(23)19(11-7-10-16-8-5-4-6-9-16)21(2,24)17-12-14-18(22)15-13-17/h4-6,8-9,12-15,19,24H,3,7,10-11H2,1-2H3