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

Systemtic Name: tert-butyl N-[[6-acetamido-4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-acetamido-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-acetamido-4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-acetamido-4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-acetamido-4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H39N3O5 MolecularWeight: 473.60496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O5/c1-9-10-13-33-22-20-14-18(28-17(2)30)11-12-19(20)23(31)29(16-25(3,4)5)21(22)15-27-24(32)34-26(6,7)8/h11-12,14H,9-10,13,15-16H2,1-8H3,(H,27,32)(H,28,30)