2-(dimethylamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1H-benzimidazol-4-yl]methyl]propanedioic acid

Systemtic Name: 2-(dimethylamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1H-benzimidazol-4-yl]methyl]propanedioic acid Openeye Name: 2-[(2-tert-butoxycarbonyl-1H-benzimidazol-4-yl)methyl]-2-(dimethylamino)propanedioic acid CAS Name: 2-(dimethylamino)-2-[[2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1H-benzimidazol-4-yl]methyl]propanedioic acid IUPAC Name: 2-(dimethylamino)-2-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-1H-benzimidazol-4-yl]methyl]propanedioic acid Traditional Name: 2-[(2-tert-butoxycarbonyl-1H-benzimidazol-4-yl)methyl]-2-(dimethylamino)malonic acid Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=NC2=C(C=CC=C2N1)CC(C(=O)O)(C(=O)O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=NC2=C(C=CC=C2N1)CC(C(=O)O)(C(=O)O)N(C)C

InChI

InChI=1S/C18H23N3O6/c1-17(2,3)27-14(22)13-19-11-8-6-7-10(12(11)20-13)9-18(15(23)24,16(25)26)21(4)5/h6-8H,9H2,1-5H3,(H,19,20)(H,23,24)(H,25,26)