tert-butyl 3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-(6-oxidanyl-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)propanoate CAS Name: 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(6-hydroxy-1-keto-3,4-dihydroisoquinolin-2-yl)propionic acid tert-butyl ester Formula: C24H28N2O6 MolecularWeight: 440.48892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C(CN1CCC2=C(C1=O)C=CC(=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O6/c1-24(2,3)32-22(29)20(25-23(30)31-15-16-7-5-4-6-8-16)14-26-12-11-17-13-18(27)9-10-19(17)21(26)28/h4-10,13,20,27H,11-12,14-15H2,1-3H3,(H,25,30)