[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 4-(propan-2-yloxymethyl)benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 4-(isopropoxymethyl)benzoate CAS Name: 4-(propan-2-yloxymethyl)benzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate Traditional Name: 4-(isopropoxymethyl)benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

InChI

InChI=1S/C21H22FNO5/c1-13(2)27-11-15-4-6-16(7-5-15)21(26)28-12-20(25)18-9-8-17(10-19(18)22)23-14(3)24/h4-10,13H,11-12H2,1-3H3,(H,23,24)