ethyl 4-[2-[4-(bromomethyl)-3-methyl-phenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[4-(bromomethyl)-3-methyl-phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(bromomethyl)-3-methyl-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-(bromomethyl)-3-methylphenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(bromomethyl)-3-methylphenyl]ethynyl]benzoate Traditional Name: 4-[2-[4-(bromomethyl)-3-methyl-phenyl]ethynyl]benzoic acid ethyl ester Formula: C19H17BrO2 MolecularWeight: 357.24108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CBr)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CBr)C

InChI

InChI=1S/C19H17BrO2/c1-3-22-19(21)17-9-6-15(7-10-17)4-5-16-8-11-18(13-20)14(2)12-16/h6-12H,3,13H2,1-2H3