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

Systemtic Name: methyl 2-(4-azanylbutoxy)-6-oxidanyl-benzoate Openeye Name: methyl 2-(4-aminobutoxy)-6-hydroxy-benzoate CAS Name: 2-(4-aminobutoxy)-6-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-(4-aminobutoxy)-6-hydroxybenzoate Traditional Name: 2-(4-aminobutoxy)-6-hydroxy-benzoic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1OCCCCN)O

Isomeric SMILES

COC(=O)C1=C(C=CC=C1OCCCCN)O

InChI

InChI=1S/C12H17NO4/c1-16-12(15)11-9(14)5-4-6-10(11)17-8-3-2-7-13/h4-6,14H,2-3,7-8,13H2,1H3