[1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-triethoxybenzoate

Systemtic Name: [1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-triethoxybenzoate Openeye Name: [2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoroanilino)-1-oxopropan-2-yl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26FNO6 MolecularWeight: 419.443343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C22H26FNO6/c1-5-27-18-11-15(12-19(28-6-2)20(18)29-7-3)22(26)30-14(4)21(25)24-17-10-8-9-16(23)13-17/h8-14H,5-7H2,1-4H3,(H,24,25)