tert-butyl 4-(1-azanylethyl)imidazole-1-carboxylate; ethanedioic acid

Systemtic Name: tert-butyl 4-(1-azanylethyl)imidazole-1-carboxylate; ethanedioic acid Openeye Name: tert-butyl 4-(1-aminoethyl)imidazole-1-carboxylate; oxalic acid CAS Name: 4-(1-aminoethyl)-1-imidazolecarboxylic acid tert-butyl ester; oxalic acid IUPAC Name: tert-butyl 4-(1-aminoethyl)imidazole-1-carboxylate; oxalic acid Traditional Name: 4-(1-aminoethyl)imidazole-1-carboxylic acid tert-butyl ester; oxalic acid Formula: C12H19N3O6 MolecularWeight: 301.29576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(C=N1)C(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C1=CN(C=N1)C(=O)OC(C)(C)C)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H17N3O2.C2H2O4/c1-7(11)8-5-13(6-12-8)9(14)15-10(2,3)4;3-1(4)2(5)6/h5-7H,11H2,1-4H3;(H,3,4)(H,5,6)