[4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl N-tert-butylcarbamate

Systemtic Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxidanylidene-isoquinolin-3-yl]methyl N-tert-butylcarbamate Openeye Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxo-3-isoquinolyl]methyl N-tert-butylcarbamate CAS Name: N-tert-butylcarbamic acid [4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxo-3-isoquinolinyl]methyl ester IUPAC Name: [4-butoxy-2-(2,2-dimethylpropyl)-6-ethoxy-1-oxoisoquinolin-3-yl]methyl N-tert-butylcarbamate Traditional Name: N-tert-butylcarbamic acid (4-butoxy-6-ethoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC)CC(C)(C)C)COC(=O)NC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC)CC(C)(C)C)COC(=O)NC(C)(C)C

InChI

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