methyl (3S,4S)-6-(4-bromophenyl)-2-oxidanylidene-3-(phenylmethyl)-3,4-dihydropyran-4-carboxylate

Systemtic Name: methyl (3S,4S)-6-(4-bromophenyl)-2-oxidanylidene-3-(phenylmethyl)-3,4-dihydropyran-4-carboxylate Openeye Name: methyl (3S,4S)-3-benzyl-6-(4-bromophenyl)-2-oxo-3,4-dihydropyran-4-carboxylate CAS Name: (3S,4S)-6-(4-bromophenyl)-2-oxo-3-(phenylmethyl)-3,4-dihydropyran-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-3-benzyl-6-(4-bromophenyl)-2-oxo-3,4-dihydropyran-4-carboxylate Traditional Name: (3S,4S)-3-benzyl-6-(4-bromophenyl)-2-keto-3,4-dihydropyran-4-carboxylic acid methyl ester Formula: C20H17BrO4 MolecularWeight: 401.25058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C=C(OC(=O)C1CC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)[C@H]1C=C(OC(=O)[C@H]1CC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrO4/c1-24-19(22)17-12-18(14-7-9-15(21)10-8-14)25-20(23)16(17)11-13-5-3-2-4-6-13/h2-10,12,16-17H,11H2,1H3/t16-,17-/m0/s1