[4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(dimethylamino)-3,4-dihydro-2H-chromen-2-yl] ethanoate

Systemtic Name: [4-(3-bromanyl-4,5-dimethoxy-phenyl)-7-(dimethylamino)-3,4-dihydro-2H-chromen-2-yl] ethanoate Openeye Name: [4-(3-bromo-4,5-dimethoxy-phenyl)-7-(dimethylamino)chroman-2-yl] acetate CAS Name: acetic acid [4-(3-bromo-4,5-dimethoxyphenyl)-7-(dimethylamino)-3,4-dihydro-2H-1-benzopyran-2-yl] ester IUPAC Name: [4-(3-bromo-4,5-dimethoxyphenyl)-7-(dimethylamino)-3,4-dihydro-2H-chromen-2-yl] acetate Traditional Name: acetic acid [4-(3-bromo-4,5-dimethoxy-phenyl)-7-(dimethylamino)chroman-2-yl] ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(C2=C(O1)C=C(C=C2)N(C)C)C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CC(=O)OC1CC(C2=C(O1)C=C(C=C2)N(C)C)C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C21H24BrNO5/c1-12(24)27-20-11-16(13-8-17(22)21(26-5)19(9-13)25-4)15-7-6-14(23(2)3)10-18(15)28-20/h6-10,16,20H,11H2,1-5H3