(phenylmethyl) 5-(2-bromanyl-4-methyl-phenoxy)-2-ethanoyl-pentanoate

Systemtic Name: (phenylmethyl) 5-(2-bromanyl-4-methyl-phenoxy)-2-ethanoyl-pentanoate Openeye Name: benzyl 2-acetyl-5-(2-bromo-4-methyl-phenoxy)pentanoate CAS Name: 2-acetyl-5-(2-bromo-4-methylphenoxy)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-5-(2-bromo-4-methylphenoxy)pentanoate Traditional Name: 2-acetyl-5-(2-bromo-4-methyl-phenoxy)valeric acid benzyl ester Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(C(=O)C)C(=O)OCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(C(=O)C)C(=O)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C21H23BrO4/c1-15-10-11-20(19(22)13-15)25-12-6-9-18(16(2)23)21(24)26-14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,18H,6,9,12,14H2,1-2H3