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

Systemtic Name: 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxylic acid Openeye Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-isoquinoline-6-carboxylic acid CAS Name: 4-butoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxylic acid Traditional Name: 4-butoxy-3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-isoquinoline-6-carboxylic acid Formula: C24H34N2O6 MolecularWeight: 446.53656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O6/c1-7-8-11-31-20-18-12-16(22(28)29)9-10-17(18)21(27)26(14-15(2)3)19(20)13-25-23(30)32-24(4,5)6/h9-10,12,15H,7-8,11,13-14H2,1-6H3,(H,25,30)(H,28,29)