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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C21H24FNO5 MolecularWeight: 389.417363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC(C)C)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OCC(C)C)OC)F

InChI

InChI=1S/C21H24FNO5/c1-13(2)11-27-18-8-6-15(9-19(18)26-4)21(25)28-12-20(24)23-16-7-5-14(3)17(22)10-16/h5-10,13H,11-12H2,1-4H3,(H,23,24)