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

Systemtic Name: 1-(2-methoxyethylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(2-methoxyethylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(2-methoxyethylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(2-methoxyethylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(2-methoxyethylamino)isoquinoline-3-carboxylic acid Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

COCCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H14N2O3/c1-18-7-6-14-12-10-5-3-2-4-9(10)8-11(15-12)13(16)17/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)