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

Systemtic Name: tert-butyl N-[[4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(cyclopropylmethoxy)-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(cyclopropylmethoxy)-1-keto-2-neopentyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H42N2O5 MolecularWeight: 486.64348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CC3)CC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)OCC3CC3)CC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C28H42N2O5/c1-8-9-14-33-24-22-15-20(34-17-19-10-11-19)12-13-21(22)25(31)30(18-27(2,3)4)23(24)16-29-26(32)35-28(5,6)7/h12-13,15,19H,8-11,14,16-18H2,1-7H3,(H,29,32)