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

Systemtic Name: tert-butyl N-[4-butoxy-6-[methoxy(methyl)carbamoyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-3-yl]-N-methyl-carbamate Openeye Name: tert-butyl N-[4-butoxy-2-isobutyl-6-[methoxy(methyl)carbamoyl]-1-oxo-3-isoquinolyl]-N-methyl-carbamate CAS Name: N-[4-butoxy-6-[[methoxy(methyl)amino]-oxomethyl]-2-(2-methylpropyl)-1-oxo-3-isoquinolinyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-butoxy-6-[methoxy(methyl)carbamoyl]-2-(2-methylpropyl)-1-oxoisoquinolin-3-yl]-N-methylcarbamate Traditional Name: N-[4-butoxy-2-isobutyl-1-keto-6-[methoxy(methyl)carbamoyl]-3-isoquinolyl]-N-methyl-carbamic acid tert-butyl ester Formula: C26H39N3O6 MolecularWeight: 489.60436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O6/c1-10-11-14-34-21-20-15-18(23(30)28(8)33-9)12-13-19(20)24(31)29(16-17(2)3)22(21)27(7)25(32)35-26(4,5)6/h12-13,15,17H,10-11,14,16H2,1-9H3