[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H23ClFNO5 MolecularWeight: 423.862423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO5/c1-3-5-10-28-18-9-6-14(11-19(18)27-4-2)21(26)29-13-20(25)24-17-12-15(22)7-8-16(17)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,24,25)