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

Systemtic Name: methyl (3S,4S)-6-bromanyl-2-oxidanylidene-4-[(2R)-1-oxidanylidene-1-phenyl-butan-2-yl]-3,4-dihydrochromene-3-carboxylate Openeye Name: methyl (3S,4S)-4-[(1R)-1-benzoylpropyl]-6-bromo-2-oxo-chromane-3-carboxylate CAS Name: (3S,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylbutan-2-yl]-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-6-bromo-2-oxo-4-[(2R)-1-oxo-1-phenylbutan-2-yl]-3,4-dihydrochromene-3-carboxylate Traditional Name: (3S,4S)-4-[(1R)-1-benzoylpropyl]-6-bromo-2-keto-chroman-3-carboxylic acid methyl ester Formula: C21H19BrO5 MolecularWeight: 431.27656

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H19BrO5/c1-3-14(19(23)12-7-5-4-6-8-12)17-15-11-13(22)9-10-16(15)27-21(25)18(17)20(24)26-2/h4-11,14,17-18H,3H2,1-2H3/t14-,17-,18+/m1/s1