tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-propan-2-yloxy-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-propan-2-yloxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-6-isopropoxy-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-propan-2-yloxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-propan-2-yloxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-6-isopropoxy-1-keto-2-neopentyl-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C27H42N2O5 MolecularWeight: 474.63278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O5/c1-10-11-14-32-23-21-15-19(33-18(2)3)12-13-20(21)24(30)29(17-26(4,5)6)22(23)16-28-25(31)34-27(7,8)9/h12-13,15,18H,10-11,14,16-17H2,1-9H3,(H,28,31)