[(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (2S,3S)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl] (2S,3S)-5-bromanyl-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl] (2S,3S)-2-(4-benzyloxyphenyl)-5-bromo-2,3-dihydrobenzofuran-3-carboxylate CAS Name: (2S,3S)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydrobenzofuran-3-carboxylic acid [(2R)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2S,3S)-5-bromo-2-(4-phenylmethoxyphenyl)-2,3-dihydro-1-benzofuran-3-carboxylate Traditional Name: (2S,3S)-2-(4-benzoxyphenyl)-5-bromo-coumaran-3-carboxylic acid [(1R)-2-keto-1-methyl-2-pyrrolidino-ethyl] ester Formula: C29H28BrNO5 MolecularWeight: 550.44032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)OC(=O)C2C(OC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)OC(=O)[C@@H]2[C@H](OC3=C2C=C(C=C3)Br)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28BrNO5/c1-19(28(32)31-15-5-6-16-31)35-29(33)26-24-17-22(30)11-14-25(24)36-27(26)21-9-12-23(13-10-21)34-18-20-7-3-2-4-8-20/h2-4,7-14,17,19,26-27H,5-6,15-16,18H2,1H3/t19-,26+,27-/m1/s1