[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 5-chloranyl-1-benzofuran-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-chlorobenzofuran-2-carboxylate CAS Name: 5-chloro-2-benzofurancarboxylic acid [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 5-chloro-1-benzofuran-2-carboxylate Traditional Name: 5-chlorocoumarilic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylpropyl]amino]ethyl] ester Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CNC(=O)[C@H](C)OC(=O)C1=CC2=C(O1)C=CC(=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClNO4/c1-13(15-6-4-3-5-7-15)12-23-20(24)14(2)26-21(25)19-11-16-10-17(22)8-9-18(16)27-19/h3-11,13-14H,12H2,1-2H3,(H,23,24)/t13-,14-/m0/s1