[4-butoxy-2-(2,2-dimethylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate

Systemtic Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl] N-tert-butyl-N-methyl-carbamate Openeye Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-hydroxy-1-oxo-3-isoquinolyl] N-tert-butyl-N-methyl-carbamate CAS Name: N-tert-butyl-N-methylcarbamic acid [4-butoxy-2-(2,2-dimethylpropyl)-6-hydroxy-1-oxo-3-isoquinolinyl] ester IUPAC Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-hydroxy-1-oxoisoquinolin-3-yl] N-tert-butyl-N-methylcarbamate Traditional Name: N-tert-butyl-N-methyl-carbamic acid (4-butoxy-6-hydroxy-1-keto-2-neopentyl-3-isoquinolyl) ester Formula: C24H36N2O5 MolecularWeight: 432.55304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)O)CC(C)(C)C)OC(=O)N(C)C(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)O)CC(C)(C)C)OC(=O)N(C)C(C)(C)C

InChI

InChI=1S/C24H36N2O5/c1-9-10-13-30-19-18-14-16(27)11-12-17(18)20(28)26(15-23(2,3)4)21(19)31-22(29)25(8)24(5,6)7/h11-12,14,27H,9-10,13,15H2,1-8H3