tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-7-ethoxy-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-7-ethoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O5/c1-9-11-14-32-22-19-13-12-18(31-10-2)15-20(19)23(29)28(17-25(3,4)5)21(22)16-27-24(30)33-26(6,7)8/h12-13,15H,9-11,14,16-17H2,1-8H3,(H,27,30)