(phenylmethyl) (2S)-4-acetamido-5-bromanyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate

Systemtic Name: (phenylmethyl) (2S)-4-acetamido-5-bromanyl-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate Openeye Name: benzyl (2S)-4-acetamido-5-bromo-2-methyl-2,3-dihydrobenzofuran-7-carboxylate CAS Name: (2S)-4-acetamido-5-bromo-2-methyl-2,3-dihydrobenzofuran-7-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-acetamido-5-bromo-2-methyl-2,3-dihydro-1-benzofuran-7-carboxylate Traditional Name: (2S)-4-acetamido-5-bromo-2-methyl-coumaran-7-carboxylic acid benzyl ester Formula: C19H18BrNO4 MolecularWeight: 404.25452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2NC(=O)C)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC2=C(O1)C(=CC(=C2NC(=O)C)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrNO4/c1-11-8-14-17(21-12(2)22)16(20)9-15(18(14)25-11)19(23)24-10-13-6-4-3-5-7-13/h3-7,9,11H,8,10H2,1-2H3,(H,21,22)/t11-/m0/s1