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

Systemtic Name: tert-butyl (NE)-N-[3,4-dihydro-1H-isoquinolin-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Openeye Name: tert-butyl (NE)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamate CAS Name: (NE)-N-[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-[3,4-dihydro-1H-isoquinolin-2-yl-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate Traditional Name: (NE)-N-[(tert-butoxycarbonylamino)-(3,4-dihydro-1H-isoquinolin-2-yl)methylene]carbamic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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=CC=CC=C2C1

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/N1CCC2=CC=CC=C2C1

InChI

InChI=1S/C20H29N3O4/c1-19(2,3)26-17(24)21-16(22-18(25)27-20(4,5)6)23-12-11-14-9-7-8-10-15(14)13-23/h7-10H,11-13H2,1-6H3,(H,21,22,24,25)