[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C20H18BrNO4/c1-12-16-10-15(21)8-9-17(16)26-18(12)20(24)25-13(2)19(23)22-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,22,23)/t13-/m1/s1