[1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25ClFNO5 MolecularWeight: 437.889003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl)OCC(C)C

InChI

InChI=1S/C22H25ClFNO5/c1-5-28-20-10-15(6-9-19(20)29-12-13(2)3)22(27)30-14(4)21(26)25-18-8-7-16(24)11-17(18)23/h6-11,13-14H,5,12H2,1-4H3,(H,25,26)