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

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-tert-butoxycarbonyl-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(2-methylpropan-2-yl)oxy-oxomethyl]-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonyl]-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-tert-butoxycarbonyl-7-octoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C23H35NO5 MolecularWeight: 405.5277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(CC(N(C2)C(=O)OC(C)(C)C)C(=O)O)C=C1

Isomeric SMILES

CCCCCCCCOC1=CC2=C(CC(N(C2)C(=O)OC(C)(C)C)C(=O)O)C=C1

InChI

InChI=1S/C23H35NO5/c1-5-6-7-8-9-10-13-28-19-12-11-17-15-20(21(25)26)24(16-18(17)14-19)22(27)29-23(2,3)4/h11-12,14,20H,5-10,13,15-16H2,1-4H3,(H,25,26)