tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]carbamate

Systemtic Name: tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamate CAS Name: (NE)-N-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methylidene]carbamic acid tert-butyl ester IUPAC Name: tert-butyl (NE)-N-[(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamic acid tert-butyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1CCC2=C(C1)C=C(C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/N1CCC2=C(C1)C=C(C=C2)O

InChI

InChI=1S/C20H29N3O5/c1-19(2,3)27-17(25)21-16(22-18(26)28-20(4,5)6)23-10-9-13-7-8-15(24)11-14(13)12-23/h7-8,11,24H,9-10,12H2,1-6H3,(H,21,22,25,26)