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

Systemtic Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-methanoyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-formyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-formyl-1-oxo-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-formyl-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-formyl-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamate Formula: C21H27N2O5- MolecularWeight: 387.44948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C=O)CC(C)(C)C)CNC(=O)[O-]

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C=O)CC(C)(C)C)CNC(=O)[O-]

InChI

InChI=1S/C21H28N2O5/c1-5-6-9-28-18-16-10-14(12-24)7-8-15(16)19(25)23(13-21(2,3)4)17(18)11-22-20(26)27/h7-8,10,12,22H,5-6,9,11,13H2,1-4H3,(H,26,27)/p-1