3-(1-cyanoethyl)-1-methyl-isoquinoline-6-carboxylic acid

Systemtic Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-6-carboxylic acid Openeye Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-6-carboxylic acid CAS Name: 3-(1-cyanoethyl)-1-methyl-6-isoquinolinecarboxylic acid IUPAC Name: 3-(1-cyanoethyl)-1-methylisoquinoline-6-carboxylic acid Traditional Name: 3-(1-cyanoethyl)-1-methyl-isoquinoline-6-carboxylic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=CC(=N1)C(C)C#N)C(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=CC(=N1)C(C)C#N)C(=O)O

InChI

InChI=1S/C14H12N2O2/c1-8(7-15)13-6-11-5-10(14(17)18)3-4-12(11)9(2)16-13/h3-6,8H,1-2H3,(H,17,18)