2,4-dimethyl-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2,4-dimethyl-1H-isoquinoline-3-carboxylic acid Openeye Name: 2,4-dimethyl-1H-isoquinoline-3-carboxylic acid CAS Name: 2,4-dimethyl-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2,4-dimethyl-1H-isoquinoline-3-carboxylic acid Traditional Name: 2,4-dimethyl-1H-isoquinoline-3-carboxylic acid Formula: C12H13NO2 MolecularWeight: 203.23712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(CC2=CC=CC=C12)C)C(=O)O

Isomeric SMILES

CC1=C(N(CC2=CC=CC=C12)C)C(=O)O

InChI

InChI=1S/C12H13NO2/c1-8-10-6-4-3-5-9(10)7-13(2)11(8)12(14)15/h3-6H,7H2,1-2H3,(H,14,15)