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

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]acetic acid Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]acetic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

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)