N-[[4-butoxy-2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: N-[[4-butoxy-2-(2-methylpropyl)-6-oxidanyl-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[(4-butoxy-6-hydroxy-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-6-hydroxy-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[4-butoxy-6-hydroxy-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-hydroxy-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamate Formula: C19H25N2O5- MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-4-5-8-26-17-15-9-13(22)6-7-14(15)18(23)21(11-12(2)3)16(17)10-20-19(24)25/h6-7,9,12,20,22H,4-5,8,10-11H2,1-3H3,(H,24,25)/p-1