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

Systemtic Name: [1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-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:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)Cl)OCC

InChI

InChI=1S/C22H25ClFNO5/c1-4-6-11-29-19-10-7-15(12-20(19)28-5-2)22(27)30-14(3)21(26)25-18-9-8-16(24)13-17(18)23/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,26)