ethanedioic acid; 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate; hydrate

Systemtic Name: ethanedioic acid; 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate; hydrate Openeye Name: 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate; oxalic acid; hydrate CAS Name: N-(2,2-dimethylpropyl)carbamic acid 3-(1H-imidazol-5-yl)propyl ester; oxalic acid; hydrate IUPAC Name: 3-(1H-imidazol-5-yl)propyl N-(2,2-dimethylpropyl)carbamate; oxalic acid; hydrate Traditional Name: N-neopentylcarbamic acid 3-(1H-imidazol-5-yl)propyl ester; oxalic acid; hydrate Formula: C14H25N3O7 MolecularWeight: 347.3642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC(=O)OCCCC1=CN=CN1.C(=O)(C(=O)O)O.O

Isomeric SMILES

CC(C)(C)CNC(=O)OCCCC1=CN=CN1.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C12H21N3O2.C2H2O4.H2O/c1-12(2,3)8-14-11(16)17-6-4-5-10-7-13-9-15-10;3-1(4)2(5)6;/h7,9H,4-6,8H2,1-3H3,(H,13,15)(H,14,16);(H,3,4)(H,5,6);1H2