methyl 2-butyl-2-[2-(4-chloranylphenoxy)-2-imidazol-1-yl-1-methoxy-ethyl]hexanoate

Systemtic Name: methyl 2-butyl-2-[2-(4-chloranylphenoxy)-2-imidazol-1-yl-1-methoxy-ethyl]hexanoate Openeye Name: methyl 2-butyl-2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-1-methoxy-ethyl]hexanoate CAS Name: 2-butyl-2-[2-(4-chlorophenoxy)-2-(1-imidazolyl)-1-methoxyethyl]hexanoic acid methyl ester IUPAC Name: methyl 2-butyl-2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-1-methoxyethyl]hexanoate Traditional Name: 2-butyl-2-[2-(4-chlorophenoxy)-2-imidazol-1-yl-1-methoxy-ethyl]hexanoic acid methyl ester Formula: C23H33ClN2O4 MolecularWeight: 436.97212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)OC)C(=O)OC

Isomeric SMILES

CCCCC(CCCC)(C(C(N1C=CN=C1)OC2=CC=C(C=C2)Cl)OC)C(=O)OC

InChI

InChI=1S/C23H33ClN2O4/c1-5-7-13-23(14-8-6-2,22(27)29-4)20(28-3)21(26-16-15-25-17-26)30-19-11-9-18(24)10-12-19/h9-12,15-17,20-21H,5-8,13-14H2,1-4H3