[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] hexanoate

Systemtic Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] hexanoate Openeye Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] hexanoate CAS Name: hexanoic acid [4-[4-(4-chlorophenyl)phenoxy]-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] hexanoate Traditional Name: hexanoic acid [4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31ClN2O4/c1-4-5-6-7-24(31)33-18-27(2,3)25(32)26(30-17-16-29-19-30)34-23-14-10-21(11-15-23)20-8-12-22(28)13-9-20/h8-17,19,26H,4-7,18H2,1-3H3