ethyl (3R,4S)-6-bromanyl-2-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]-3,4-dihydrochromene-3-carboxylate

Systemtic Name: ethyl (3R,4S)-6-bromanyl-2-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]-3,4-dihydrochromene-3-carboxylate Openeye Name: ethyl (3R,4S)-4-[(1R)-1-benzoylpropyl]-6-bromo-2-oxo-chromane-3-carboxylate CAS Name: (3R,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylbutan-2-yl]-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylbutan-2-yl]-3,4-dihydrochromene-3-carboxylate Traditional Name: (3R,4S)-4-[(1R)-1-benzoylpropyl]-6-bromo-2-keto-chroman-3-carboxylic acid ethyl ester Formula: C22H21BrO5 MolecularWeight: 445.30314

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1C(C(=O)OC2=C1C=C(C=C2)Br)C(=O)OCC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H]([C@H]1[C@@H](C(=O)OC2=C1C=C(C=C2)Br)C(=O)OCC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrO5/c1-3-15(20(24)13-8-6-5-7-9-13)18-16-12-14(23)10-11-17(16)28-22(26)19(18)21(25)27-4-2/h5-12,15,18-19H,3-4H2,1-2H3/t15-,18-,19-/m1/s1