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

Systemtic Name: (phenylmethyl) 2-(4-azanylbutoxy)-6-oxidanyl-benzoate Openeye Name: benzyl 2-(4-aminobutoxy)-6-hydroxy-benzoate CAS Name: 2-(4-aminobutoxy)-6-hydroxybenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4-aminobutoxy)-6-hydroxybenzoate Traditional Name: 2-(4-aminobutoxy)-6-hydroxy-benzoic acid benzyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2OCCCCN)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(C=CC=C2OCCCCN)O

InChI

InChI=1S/C18H21NO4/c19-11-4-5-12-22-16-10-6-9-15(20)17(16)18(21)23-13-14-7-2-1-3-8-14/h1-3,6-10,20H,4-5,11-13,19H2