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

Systemtic Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-methoxycarbonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-carbomethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

COC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C12H13NO4/c1-17-12(16)13-7-9-5-3-2-4-8(9)6-10(13)11(14)15/h2-5,10H,6-7H2,1H3,(H,14,15)