methyl 6-(4-azanylbutoxy)-3-bromanyl-2-oxidanyl-benzoate

Systemtic Name: methyl 6-(4-azanylbutoxy)-3-bromanyl-2-oxidanyl-benzoate Openeye Name: methyl 6-(4-aminobutoxy)-3-bromo-2-hydroxy-benzoate CAS Name: 6-(4-aminobutoxy)-3-bromo-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 6-(4-aminobutoxy)-3-bromo-2-hydroxybenzoate Traditional Name: 6-(4-aminobutoxy)-3-bromo-2-hydroxy-benzoic acid methyl ester Formula: C12H16BrNO4 MolecularWeight: 318.16374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1O)Br)OCCCCN

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1O)Br)OCCCCN

InChI

InChI=1S/C12H16BrNO4/c1-17-12(16)10-9(18-7-3-2-6-14)5-4-8(13)11(10)15/h4-5,15H,2-3,6-7,14H2,1H3