ethanedioic acid; [4-(5-ethylimidazo[4,5-c]pyridin-2-yl)phenyl] 2,2-dimethylpropanoate

Systemtic Name: ethanedioic acid; [4-(5-ethylimidazo[4,5-c]pyridin-2-yl)phenyl] 2,2-dimethylpropanoate Openeye Name: [4-(5-ethylimidazo[4,5-c]pyridin-2-yl)phenyl] 2,2-dimethylpropanoate; oxalic acid CAS Name: 2,2-dimethylpropanoic acid [4-(5-ethyl-2-imidazo[4,5-c]pyridinyl)phenyl] ester; oxalic acid IUPAC Name: [4-(5-ethylimidazo[4,5-c]pyridin-2-yl)phenyl] 2,2-dimethylpropanoate; oxalic acid Traditional Name: 2,2-dimethylpropionic acid [4-(5-ethylimidazo[4,5-c]pyridin-2-yl)phenyl] ester; oxalic acid Formula: C23H25N3O10 MolecularWeight: 503.4587

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC2=NC(=NC2=C1)C3=CC=C(C=C3)OC(=O)C(C)(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C=CC2=NC(=NC2=C1)C3=CC=C(C=C3)OC(=O)C(C)(C)C.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H21N3O2.2C2H2O4/c1-5-22-11-10-15-16(12-22)21-17(20-15)13-6-8-14(9-7-13)24-18(23)19(2,3)4;2*3-1(4)2(5)6/h6-12H,5H2,1-4H3;2*(H,3,4)(H,5,6)