methyl (2S,4R)-2-(4-bromophenyl)-7-methoxy-4-oxidanyl-2,3-dihydrochromene-4-carboxylate

Systemtic Name: methyl (2S,4R)-2-(4-bromophenyl)-7-methoxy-4-oxidanyl-2,3-dihydrochromene-4-carboxylate Openeye Name: methyl (2S,4R)-2-(4-bromophenyl)-4-hydroxy-7-methoxy-chromane-4-carboxylate CAS Name: (2S,4R)-2-(4-bromophenyl)-4-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-2-(4-bromophenyl)-4-hydroxy-7-methoxy-2,3-dihydrochromene-4-carboxylate Traditional Name: (2S,4R)-2-(4-bromophenyl)-4-hydroxy-7-methoxy-chroman-4-carboxylic acid methyl ester Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(CC(O2)C3=CC=C(C=C3)Br)(C(=O)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)[C@](C[C@H](O2)C3=CC=C(C=C3)Br)(C(=O)OC)O

InChI

InChI=1S/C18H17BrO5/c1-22-13-7-8-14-15(9-13)24-16(10-18(14,21)17(20)23-2)11-3-5-12(19)6-4-11/h3-9,16,21H,10H2,1-2H3/t16-,18+/m0/s1