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

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxopropan-2-yl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-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:

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F)OCC(C)C

InChI

InChI=1S/C22H26FNO5/c1-5-27-20-12-16(6-11-19(20)28-13-14(2)3)22(26)29-15(4)21(25)24-18-9-7-17(23)8-10-18/h6-12,14-15H,5,13H2,1-4H3,(H,24,25)