2-methanoyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-methanoyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-formyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-formyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-formyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-formyl-4-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CC2=CC=CC=C12)C=O)C(=O)O

Isomeric SMILES

CC1C(N(CC2=CC=CC=C12)C=O)C(=O)O

InChI

InChI=1S/C12H13NO3/c1-8-10-5-3-2-4-9(10)6-13(7-14)11(8)12(15)16/h2-5,7-8,11H,6H2,1H3,(H,15,16)