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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-isobutoxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-(2-methylpropoxy)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-isobutoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C28H44N2O5 MolecularWeight: 488.65936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44N2O5/c1-10-11-14-33-24-22-15-20(34-17-19(2)3)12-13-21(22)25(31)30(18-27(4,5)6)23(24)16-29-26(32)35-28(7,8)9/h12-13,15,19H,10-11,14,16-18H2,1-9H3,(H,29,32)