1-(prop-2-ynylamino)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(prop-2-ynylamino)isoquinoline-3-carboxylic acid Openeye Name: 1-(prop-2-ynylamino)isoquinoline-3-carboxylic acid CAS Name: 1-(prop-2-ynylamino)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(prop-2-ynylamino)isoquinoline-3-carboxylic acid Traditional Name: 1-(propargylamino)isoquinoline-3-carboxylic acid Formula: C13H10N2O2 MolecularWeight: 226.2307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

Isomeric SMILES

C#CCNC1=NC(=CC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H10N2O2/c1-2-7-14-12-10-6-4-3-5-9(10)8-11(15-12)13(16)17/h1,3-6,8H,7H2,(H,14,15)(H,16,17)