methyl 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate

Systemtic Name: methyl 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylate Openeye Name: methyl 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-isoquinoline-6-carboxylate CAS Name: 4-butoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylate Traditional Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-isoquinoline-6-carboxylic acid methyl ester Formula: C25H36N2O6 MolecularWeight: 460.56314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O6/c1-8-9-12-32-21-19-13-17(23(29)31-7)10-11-18(19)22(28)27(15-16(2)3)20(21)14-26-24(30)33-25(4,5)6/h10-11,13,16H,8-9,12,14-15H2,1-7H3,(H,26,30)