[4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] propanoate

Systemtic Name: [4-(4-chloranylphenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxidanylidene-butyl] propanoate Openeye Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxo-butyl] propanoate CAS Name: propanoic acid [4-(4-chlorophenoxy)-4-(1-imidazolyl)-2,2-dimethyl-3-oxobutyl] ester IUPAC Name: [4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] propanoate Traditional Name: propionic acid [4-(4-chlorophenoxy)-4-imidazol-1-yl-3-keto-2,2-dimethyl-butyl] ester Formula: C18H21ClN2O4 MolecularWeight: 364.82334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4/c1-4-15(22)24-11-18(2,3)16(23)17(21-10-9-20-12-21)25-14-7-5-13(19)6-8-14/h5-10,12,17H,4,11H2,1-3H3