(phenylmethyl) 2-[2-(bromomethyl)phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-[2-(bromomethyl)phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-[2-(bromomethyl)phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoate CAS Name: 2-[2-(bromomethyl)phenyl]-5-[(2,2-dimethylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(bromomethyl)phenyl]-5-(2,2-dimethylpropylcarbamoyl)benzoate Traditional Name: 2-[2-(bromomethyl)phenyl]-5-(neopentylcarbamoyl)benzoic acid benzyl ester Formula: C27H28BrNO3 MolecularWeight: 494.42012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CBr)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2CBr)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrNO3/c1-27(2,3)18-29-25(30)20-13-14-23(22-12-8-7-11-21(22)16-28)24(15-20)26(31)32-17-19-9-5-4-6-10-19/h4-15H,16-18H2,1-3H3,(H,29,30)