ethyl 4-(4-chloranylphenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-prop-2-enoxy-butanoate

Systemtic Name: ethyl 4-(4-chloranylphenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-prop-2-enoxy-butanoate Openeye Name: ethyl 3-allyloxy-4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-butanoate CAS Name: 4-(4-chlorophenoxy)-2-ethyl-4-(1-imidazolyl)-2-methyl-3-prop-2-enoxybutanoic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-prop-2-enoxybutanoate Traditional Name: 3-allyloxy-4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-butyric acid ethyl ester Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN2O4/c1-5-14-27-18(21(4,6-2)20(25)26-7-3)19(24-13-12-23-15-24)28-17-10-8-16(22)9-11-17/h5,8-13,15,18-19H,1,6-7,14H2,2-4H3