(phenylmethyl) 3-(2-bromoethyl)-4-methyl-benzoate

Systemtic Name: (phenylmethyl) 3-(2-bromoethyl)-4-methyl-benzoate Openeye Name: benzyl 3-(2-bromoethyl)-4-methyl-benzoate CAS Name: 3-(2-bromoethyl)-4-methylbenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-bromoethyl)-4-methylbenzoate Traditional Name: 3-(2-bromoethyl)-4-methyl-benzoic acid benzyl ester Formula: C17H17BrO2 MolecularWeight: 333.21968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)CCBr

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)CCBr

InChI

InChI=1S/C17H17BrO2/c1-13-7-8-16(11-15(13)9-10-18)17(19)20-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3