[2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(4-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(4-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-(4-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H21ClFNO5 MolecularWeight: 409.835843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Cl)F)OC

InChI

InChI=1S/C20H21ClFNO5/c1-12(2)10-27-17-7-4-13(8-18(17)26-3)20(25)28-11-19(24)23-16-6-5-14(21)9-15(16)22/h4-9,12H,10-11H2,1-3H3,(H,23,24)