tert-butyl N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]carbamate CAS Name: N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]carbamate Traditional Name: N-[4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]carbamic acid tert-butyl ester Formula: C22H34N2O5 MolecularWeight: 406.51576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCCNC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CCCNC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C22H34N2O5/c1-6-27-18-13-16-10-12-24(15-17(16)14-19(18)28-7-2)20(25)9-8-11-23-21(26)29-22(3,4)5/h13-14H,6-12,15H2,1-5H3,(H,23,26)