1-(2-butoxyethoxy)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(2-butoxyethoxy)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-butoxyethoxy)isoquinoline-3-carboxylic acid CAS Name: 1-(2-butoxyethoxy)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-butoxyethoxy)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-butoxyethoxy)isoquinoline-3-carboxylic acid Formula: C16H19NO4 MolecularWeight: 289.32636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCOCCOC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO4/c1-2-3-8-20-9-10-21-15-13-7-5-4-6-12(13)11-14(17-15)16(18)19/h4-7,11H,2-3,8-10H2,1H3,(H,18,19)