1-(dimethylamino)ethyl 5-bromanyl-2-oxidanyl-3-propanoyl-benzoate

Systemtic Name: 1-(dimethylamino)ethyl 5-bromanyl-2-oxidanyl-3-propanoyl-benzoate Openeye Name: 1-(dimethylamino)ethyl 5-bromo-2-hydroxy-3-propanoyl-benzoate CAS Name: 5-bromo-2-hydroxy-3-(1-oxopropyl)benzoic acid 1-(dimethylamino)ethyl ester IUPAC Name: 1-(dimethylamino)ethyl 5-bromo-2-hydroxy-3-propanoylbenzoate Traditional Name: 5-bromo-2-hydroxy-3-propionyl-benzoic acid 1-(dimethylamino)ethyl ester Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CC(=C1O)C(=O)OC(C)N(C)C)Br

Isomeric SMILES

CCC(=O)C1=CC(=CC(=C1O)C(=O)OC(C)N(C)C)Br

InChI

InChI=1S/C14H18BrNO4/c1-5-12(17)10-6-9(15)7-11(13(10)18)14(19)20-8(2)16(3)4/h6-8,18H,5H2,1-4H3