2-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-carbethoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=CC=CC=C2C1C(=O)O

Isomeric SMILES

CCOC(=O)N1CCC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C13H15NO4/c1-2-18-13(17)14-8-7-9-5-3-4-6-10(9)11(14)12(15)16/h3-6,11H,2,7-8H2,1H3,(H,15,16)