4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyrate Formula: C13H14NO3- MolecularWeight: 232.25516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c15-12(5-6-13(16)17)14-8-7-10-3-1-2-4-11(10)9-14/h1-4H,5-9H2,(H,16,17)/p-1