1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one; ethanedioic acid

Systemtic Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one; ethanedioic acid Openeye Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one; oxalic acid CAS Name: 1-[4-(4-chlorophenyl)phenoxy]-1-(1-imidazolyl)-3,3-dimethyl-2-butanone; oxalic acid IUPAC Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethylbutan-2-one; oxalic acid Traditional Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one; oxalic acid Formula: C23H23ClN2O6 MolecularWeight: 458.89152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H21ClN2O2.C2H2O4/c1-21(2,3)19(25)20(24-13-12-23-14-24)26-18-10-6-16(7-11-18)15-4-8-17(22)9-5-15;3-1(4)2(5)6/h4-14,20H,1-3H3;(H,3,4)(H,5,6)