tert-butyl N-[[5-aminocarbonyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[5-aminocarbonyl-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-5-carbamoyl-2-isobutyl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-5-carbamoyl-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-5-carbamoyl-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-5-carbamoyl-2-isobutyl-1-keto-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C24H35N3O5 MolecularWeight: 445.5518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3O5/c1-7-8-12-31-20-18(13-26-23(30)32-24(4,5)6)27(14-15(2)3)22(29)17-11-9-10-16(19(17)20)21(25)28/h9-11,15H,7-8,12-14H2,1-6H3,(H2,25,28)(H,26,30)