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

Systemtic Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-6-prop-2-ynoxy-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-prop-2-ynoxy-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-prop-2-ynoxy-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-6-prop-2-ynoxyisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(4-butoxy-1-keto-2-neopentyl-6-propargyloxy-3-isoquinolyl)methyl]carbamic acid tert-butyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38N2O5/c1-9-11-15-33-23-21-16-19(32-14-10-2)12-13-20(21)24(30)29(18-26(3,4)5)22(23)17-28-25(31)34-27(6,7)8/h2,12-13,16H,9,11,14-15,17-18H2,1,3-8H3,(H,28,31)