1-benzofuran-5-amine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-oxidanylidene-ethanoate

Systemtic Name: 1-benzofuran-5-amine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-oxidanylidene-ethanoate Openeye Name: benzofuran-5-amine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-oxo-acetate CAS Name: 5-benzofuranamine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-oxoacetate IUPAC Name: 1-benzofuran-5-amine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-oxoacetate Traditional Name: benzofuran-5-ylamine; 2-(3,4-dihydro-1H-isoquinolin-2-ylmethoxy)-2-keto-acetate Formula: C20H19N2O5- MolecularWeight: 367.37526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)COC(=O)C(=O)[O-].C1=CC2=C(C=CO2)C=C1N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)COC(=O)C(=O)[O-].C1=CC2=C(C=CO2)C=C1N

InChI

InChI=1S/C12H13NO4.C8H7NO/c14-11(15)12(16)17-8-13-6-5-9-3-1-2-4-10(9)7-13;9-7-1-2-8-6(5-7)3-4-10-8/h1-4H,5-8H2,(H,14,15);1-5H,9H2/p-1