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

Systemtic Name: tert-butyl N-[[4-butoxy-6-(cyclopentylcarbonylamino)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[4-butoxy-6-(cyclopentanecarbonylamino)-2-isobutyl-1-oxo-3-isoquinolyl]methyl]carbamate CAS Name: N-[[4-butoxy-6-[[cyclopentyl(oxo)methyl]amino]-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-butoxy-6-(cyclopentanecarbonylamino)-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[4-butoxy-6-(cyclopentanecarbonylamino)-2-isobutyl-1-keto-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C29H43N3O5 MolecularWeight: 513.66882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NC(=O)C3CCCC3)CC(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NC(=O)C3CCCC3)CC(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C29H43N3O5/c1-7-8-15-36-25-23-16-21(31-26(33)20-11-9-10-12-20)13-14-22(23)27(34)32(18-19(2)3)24(25)17-30-28(35)37-29(4,5)6/h13-14,16,19-20H,7-12,15,17-18H2,1-6H3,(H,30,35)(H,31,33)