[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-carboxylate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylate CAS Name: (2R)-5-chloro-2,3-dihydrobenzofuran-2-carboxylic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxylate Traditional Name: (2R)-5-chlorocoumaran-2-carboxylic acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C17H12ClFO4 MolecularWeight: 334.726183

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1[C@@H](OC2=C1C=C(C=C2)Cl)C(=O)OCC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H12ClFO4/c18-12-4-5-15-11(6-12)8-16(23-15)17(21)22-9-14(20)10-2-1-3-13(19)7-10/h1-7,16H,8-9H2/t16-/m1/s1