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

Systemtic Name: tert-butyl N-[[4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(cyclopentoxy)-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-cyclopentyloxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(cyclopentoxy)-1-keto-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C29H44N2O5 MolecularWeight: 500.67006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC3CCCC3)CC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OC3CCCC3)CC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H44N2O5/c1-8-9-16-34-25-23-17-21(35-20-12-10-11-13-20)14-15-22(23)26(32)31(19-28(2,3)4)24(25)18-30-27(33)36-29(5,6)7/h14-15,17,20H,8-13,16,18-19H2,1-7H3,(H,30,33)