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

Systemtic Name: 2-(dimethylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-4-yl]methyl]propanedioic acid Openeye Name: 2-[(1-tert-butoxycarbonylbenzimidazol-4-yl)methyl]-2-(dimethylamino)propanedioic acid CAS Name: 2-(dimethylamino)-2-[[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-benzimidazolyl]methyl]propanedioic acid IUPAC Name: 2-(dimethylamino)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-4-yl]methyl]propanedioic acid Traditional Name: 2-[(1-tert-butoxycarbonylbenzimidazol-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)N1C=NC2=C(C=CC=C21)CC(C(=O)O)(C(=O)O)N(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1C=NC2=C(C=CC=C21)CC(C(=O)O)(C(=O)O)N(C)C

InChI

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