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

Systemtic Name: tert-butyl N-[[4,7-dibutoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4,7-dibutoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4,7-dibutoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4,7-dibutoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4,7-dibutoxy-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=CC2=C(C=C1)C(=C(N(C2=O)CC(C)(C)C)CNC(=O)OC(C)(C)C)OCCCC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=C(N(C2=O)CC(C)(C)C)CNC(=O)OC(C)(C)C)OCCCC

InChI

InChI=1S/C28H44N2O5/c1-9-11-15-33-20-13-14-21-22(17-20)25(31)30(19-27(3,4)5)23(24(21)34-16-12-10-2)18-29-26(32)35-28(6,7)8/h13-14,17H,9-12,15-16,18-19H2,1-8H3,(H,29,32)