2-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 6,7-dihydroxy-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 6,7-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H19NO6 MolecularWeight: 309.31446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2CC1C(=O)O)O)O

InChI

InChI=1S/C15H19NO6/c1-15(2,3)22-14(21)16-7-9-6-12(18)11(17)5-8(9)4-10(16)13(19)20/h5-6,10,17-18H,4,7H2,1-3H3,(H,19,20)