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

Systemtic Name: methyl 4-butoxy-2-(2,2-dimethylpropyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxidanylidene-isoquinoline-6-carboxylate Openeye Name: methyl 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-(2,2-dimethylpropyl)-1-oxo-isoquinoline-6-carboxylate CAS Name: 4-butoxy-2-(2,2-dimethylpropyl)-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-1-oxo-6-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-butoxy-2-(2,2-dimethylpropyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1-oxoisoquinoline-6-carboxylate Traditional Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-1-keto-2-neopentyl-isoquinoline-6-carboxylic acid methyl ester Formula: C26H38N2O6 MolecularWeight: 474.58972

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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)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)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C26H38N2O6/c1-9-10-13-33-21-19-14-17(23(30)32-8)11-12-18(19)22(29)28(16-25(2,3)4)20(21)15-27-24(31)34-26(5,6)7/h11-12,14H,9-10,13,15-16H2,1-8H3,(H,27,31)