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

Systemtic Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one phosphate Openeye Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one phosphate CAS Name: 1-[4-(4-chlorophenyl)phenoxy]-1-(1-imidazolyl)-3,3-dimethyl-2-butanone phosphate IUPAC Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethylbutan-2-one phosphate Traditional Name: 1-[4-(4-chlorophenyl)phenoxy]-1-imidazol-1-yl-3,3-dimethyl-butan-2-one phosphate Formula: C21H21ClN2O6P-3 MolecularWeight: 463.828001

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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.[O-]P(=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.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C21H21ClN2O2.H3O4P/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;1-5(2,3)4/h4-14,20H,1-3H3;(H3,1,2,3,4)/p-3