ethanedioic acid; 2-[(4-imidazol-1-ylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-[(4-imidazol-1-ylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-imidazol-1-ylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide; oxalic acid CAS Name: 2-[[4-(1-imidazolyl)phenyl]methylamino]-N-(2,4,6-trimethylphenyl)acetamide; oxalic acid IUPAC Name: 2-[(4-imidazol-1-ylphenyl)methylamino]-N-(2,4,6-trimethylphenyl)acetamide; oxalic acid Traditional Name: 2-[(4-imidazol-1-ylbenzyl)amino]-N-mesityl-acetamide; oxalic acid Formula: C23H26N4O5 MolecularWeight: 438.47634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CNCC2=CC=C(C=C2)N3C=CN=C3)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CNCC2=CC=C(C=C2)N3C=CN=C3)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N4O.C2H2O4/c1-15-10-16(2)21(17(3)11-15)24-20(26)13-23-12-18-4-6-19(7-5-18)25-9-8-22-14-25;3-1(4)2(5)6/h4-11,14,23H,12-13H2,1-3H3,(H,24,26);(H,3,4)(H,5,6)