tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[(4-butoxy-2-isobutyl-6-oxazol-5-yl-1-oxo-3-isoquinolyl)methyl]carbamate CAS Name: N-[[4-butoxy-2-(2-methylpropyl)-6-(5-oxazolyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2-methylpropyl)-6-(1,3-oxazol-5-yl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-2-isobutyl-1-keto-6-oxazol-5-yl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C3=CN=CO3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H35N3O5/c1-7-8-11-32-23-20-12-18(22-14-27-16-33-22)9-10-19(20)24(30)29(15-17(2)3)21(23)13-28-25(31)34-26(4,5)6/h9-10,12,14,16-17H,7-8,11,13,15H2,1-6H3,(H,28,31)