2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-methoxycarbonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-carbomethoxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid Formula: C12H19NO4 MolecularWeight: 241.28356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2CCCCC2CC1C(=O)O

Isomeric SMILES

COC(=O)N1CC2CCCCC2CC1C(=O)O

InChI

InChI=1S/C12H19NO4/c1-17-12(16)13-7-9-5-3-2-4-8(9)6-10(13)11(14)15/h8-10H,2-7H2,1H3,(H,14,15)