5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxo-pentanoic acid CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-keto-valeric acid Formula: C14H17NO3 MolecularWeight: 247.28968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCC(=O)O

InChI

InChI=1S/C14H17NO3/c16-13(6-3-7-14(17)18)15-9-8-11-4-1-2-5-12(11)10-15/h1-2,4-5H,3,6-10H2,(H,17,18)