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

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26FNO5 MolecularWeight: 403.443943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO5/c1-4-6-13-28-19-12-7-16(14-20(19)27-5-2)22(26)29-15(3)21(25)24-18-10-8-17(23)9-11-18/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25)