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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butanoic acid CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanoic acid Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyric acid Formula: C13H15NO3 MolecularWeight: 233.2631

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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)