[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C21H20FNO4 MolecularWeight: 369.386203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)NC(C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4/c1-12-17-6-4-5-7-18(17)27-19(12)21(25)26-14(3)20(24)23-13(2)15-8-10-16(22)11-9-15/h4-11,13-14H,1-3H3,(H,23,24)