ethanedioic acid; 2-[(4-ethanoylphenyl)carbonylamino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide

Systemtic Name: ethanedioic acid; 2-[(4-ethanoylphenyl)carbonylamino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide Openeye Name: 2-[(4-acetylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide; oxalic acid CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]amino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide; oxalic acid IUPAC Name: 2-[(4-acetylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide; oxalic acid Traditional Name: 2-[(4-acetylbenzoyl)amino]-N-[2-(1H-imidazol-2-yl)ethyl]benzamide; oxalic acid Formula: C23H22N4O7 MolecularWeight: 466.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=NC=CN3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=NC=CN3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H20N4O3.C2H2O4/c1-14(26)15-6-8-16(9-7-15)20(27)25-18-5-3-2-4-17(18)21(28)24-11-10-19-22-12-13-23-19;3-1(4)2(5)6/h2-9,12-13H,10-11H2,1H3,(H,22,23)(H,24,28)(H,25,27);(H,3,4)(H,5,6)