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

Systemtic Name: N-[[4-butoxy-6-methanoyl-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[(4-butoxy-6-formyl-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-6-formyl-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[4-butoxy-6-formyl-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-formyl-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamate Formula: C20H25N2O5- MolecularWeight: 373.4229

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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)CNC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5/c1-4-5-8-27-18-16-9-14(12-23)6-7-15(16)19(24)22(11-13(2)3)17(18)10-21-20(25)26/h6-7,9,12-13,21H,4-5,8,10-11H2,1-3H3,(H,25,26)/p-1