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

Systemtic Name: tert-butyl N-[4-butoxy-2-(2,2-dimethylpropyl)-1-oxidanylidene-isoquinolin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolyl]-N-methyl-carbamate CAS Name: N-[4-butoxy-2-(2,2-dimethylpropyl)-1-oxo-3-isoquinolinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-butoxy-2-(2,2-dimethylpropyl)-1-oxoisoquinolin-3-yl]-N-methylcarbamate Traditional Name: N-(4-butoxy-1-keto-2-neopentyl-3-isoquinolyl)-N-methyl-carbamic acid tert-butyl ester Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)N(C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC=CC=C21)CC(C)(C)C)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H36N2O4/c1-9-10-15-29-19-17-13-11-12-14-18(17)21(27)26(16-23(2,3)4)20(19)25(8)22(28)30-24(5,6)7/h11-14H,9-10,15-16H2,1-8H3