2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]ethanoate

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]ethanoate Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]acetate CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetate IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetate Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]acetate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COCC(=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COCC(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-12(8-18-9-13(16)17)14-6-5-10-3-1-2-4-11(10)7-14/h1-4H,5-9H2,(H,16,17)/p-1