[(2S,3R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-chromen-3-yl] ethanoate

Systemtic Name: [(2S,3R)-2-(3-bromanyl-4,5-dimethoxy-phenyl)-3,4-dihydro-2H-chromen-3-yl] ethanoate Openeye Name: [(2S,3R)-2-(3-bromo-4,5-dimethoxy-phenyl)chroman-3-yl] acetate CAS Name: acetic acid [(2S,3R)-2-(3-bromo-4,5-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [(2S,3R)-2-(3-bromo-4,5-dimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate Traditional Name: acetic acid [(2S,3R)-2-(3-bromo-4,5-dimethoxy-phenyl)chroman-3-yl] ester Formula: C19H19BrO5 MolecularWeight: 407.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2=CC=CC=C2OC1C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CC(=O)O[C@@H]1CC2=CC=CC=C2O[C@H]1C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C19H19BrO5/c1-11(21)24-17-9-12-6-4-5-7-15(12)25-18(17)13-8-14(20)19(23-3)16(10-13)22-2/h4-8,10,17-18H,9H2,1-3H3/t17-,18+/m1/s1