ethyl 2-[4-(bromomethyl)phenyl]-3-ethyl-pentanoate

Systemtic Name: ethyl 2-[4-(bromomethyl)phenyl]-3-ethyl-pentanoate Openeye Name: ethyl 2-[4-(bromomethyl)phenyl]-3-ethyl-pentanoate CAS Name: 2-[4-(bromomethyl)phenyl]-3-ethylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[4-(bromomethyl)phenyl]-3-ethylpentanoate Traditional Name: 2-[4-(bromomethyl)phenyl]-3-ethyl-valeric acid ethyl ester Formula: C16H23BrO2 MolecularWeight: 327.25662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=CC=C(C=C1)CBr)C(=O)OCC

Isomeric SMILES

CCC(CC)C(C1=CC=C(C=C1)CBr)C(=O)OCC

InChI

InChI=1S/C16H23BrO2/c1-4-13(5-2)15(16(18)19-6-3)14-9-7-12(11-17)8-10-14/h7-10,13,15H,4-6,11H2,1-3H3