ethanedioic acid; 3-imidazol-1-yl-N-[[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methyl]propan-1-amine

Systemtic Name: ethanedioic acid; 3-imidazol-1-yl-N-[[4-(5-methyl-2-propan-2-yl-phenoxy)-3-nitro-phenyl]methyl]propan-1-amine Openeye Name: 3-imidazol-1-yl-N-[[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-phenyl]methyl]propan-1-amine; oxalic acid CAS Name: 3-(1-imidazolyl)-N-[[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methyl]-1-propanamine; oxalic acid IUPAC Name: 3-imidazol-1-yl-N-[[4-(5-methyl-2-propan-2-ylphenoxy)-3-nitrophenyl]methyl]propan-1-amine; oxalic acid Traditional Name: 3-imidazol-1-ylpropyl-[4-(2-isopropyl-5-methyl-phenoxy)-3-nitro-benzyl]amine; oxalic acid Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)CNCCCN3C=CN=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)CNCCCN3C=CN=C3)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N4O3.C2H2O4/c1-17(2)20-7-5-18(3)13-23(20)30-22-8-6-19(14-21(22)27(28)29)15-24-9-4-11-26-12-10-25-16-26;3-1(4)2(5)6/h5-8,10,12-14,16-17,24H,4,9,11,15H2,1-3H3;(H,3,4)(H,5,6)